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5-ethyl-N-[(4-methylphenyl)methylideneamino]pyridine-2-carboxamide,Ca

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摘 要: 5-ethyl-N-[(4-methylphenyl)methylideneamino]pyridine-2-carboxamide,Canonical SMILES: CCC1=CN=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)C,InChI: InChI=1/C16H17N3O/c1-3-13-8-9-15(17-10-13)16(20)19-18-11-14-6-4-12(2)5-,7-14/h4-11H,3H2,1-2H3,(H,19,20)/f/h19H,Molecul
[Synonyms]

[Structure]
 5-ethyl-N-[(4-methylphenyl)methylideneamino]pyridine-2-carboxamide,Ca

[ Properties Computed from Structure]
Molecular Weight267.32568 [g/mol]
Molecular FormulaC16H17N3O
XLogP4
H-Bond Donor1
H-Bond Acceptor3
Rotatable Bond Count4
Tautomer Count2
Exact Mass267.137162
MonoIsotopic Mass267.137162
Topological Polar Surface Area54.4
Heavy Atom Count20
Formal Charge0
Complexity335
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-[(4-methylphenyl)methylideneamino]pyridine-2-carboxamide
Canonical SMILES: CCC1=CN=C(C=C1)C(=O)NN=CC2=CC=C(C=C2)C
InChI: InChI=1/C16H17N3O/c1-3-13-8-9-15(17-10-13)16(20)19-18-11-14-6-4-12(2)5-
7-14/h4-11H,3H2,1-2H3,(H,19,20)/f/h19H

 
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