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5-ethyl-N-[(1-methylindol-3-yl)methylideneamino]pyridine-2-carboxamid

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摘 要: 5-ethyl-N-[(1-methylindol-3-yl)methylideneamino]pyridine-2-carboxamide,Canonical SMILES: CCC1=CN=C(C=C1)C(=O)NN=CC2=CN(C3=CC=CC=C32)C,InChI: InChI=1/C18H18N4O/c1-3-13-8-9-16(19-10-13)18(23)21-20-11-14-12-22(2)17-,7-5-4-6-15(14)17/h4-12H,3H2,1-2H3,(H
[Synonyms]

[Structure]
 5-ethyl-N-[(1-methylindol-3-yl)methylideneamino]pyridine-2-carboxamid

[ Properties Computed from Structure]
Molecular Weight306.36172 [g/mol]
Molecular FormulaC18H18N4O
XLogP3.9
H-Bond Donor1
H-Bond Acceptor4
Rotatable Bond Count4
Tautomer Count2
Exact Mass306.148061
MonoIsotopic Mass306.148061
Topological Polar Surface Area59.3
Heavy Atom Count23
Formal Charge0
Complexity439
Isotope Atom Count0
Defined Atom StereoCenter Count0
Undefined Atom StereoCenter Count0
Defined Bond StereoCenter Count0
Undefined Bond StereoCenter Count1
Covalently-Bonded Unit Count1

[ Descriptors Computed from Structure]
IUPAC Name: 5-ethyl-N-[(1-methylindol-3-yl)methylideneamino]pyridine-2-carboxamide
Canonical SMILES: CCC1=CN=C(C=C1)C(=O)NN=CC2=CN(C3=CC=CC=C32)C
InChI: InChI=1/C18H18N4O/c1-3-13-8-9-16(19-10-13)18(23)21-20-11-14-12-22(2)17-
7-5-4-6-15(14)17/h4-12H,3H2,1-2H3,(H,21,23)/f/h21H

 
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