N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide

C14H13N5O — CID 107801443

IUPACN-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(NN)c2)c1C#N
InChIInChI=1S/C14H13N5O/c1-9-3-2-4-12(11(9)8-15)18-14(20)10-5-6-17-13(7-10)19-16/h2-7H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeySHNLLMJWWXAOAH-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.80
Rot. Bonds3

About N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide

N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide (PubChem CID 107801443) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
PubChem CID107801443
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC NameN-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
SMILESCc1cccc(NC(=O)c2ccnc(NN)c2)c1C#N
InChIInChI=1S/C14H13N5O/c1-9-3-2-4-12(11(9)8-15)18-14(20)10-5-6-17-13(7-10)19-16/h2-7H,16H2,1H3,(H,17,19)(H,18,20)
InChIKeySHNLLMJWWXAOAH-UHFFFAOYSA-N
XLogP1.80
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,6-dimethylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62247235
N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107801459
5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
CID 107801438
N-(2-cyano-3-methylphenyl)-3-hydroxybenzamide
CID 107799227
N-(2-cyano-3-methylphenyl)-4-iodobenzamide
CID 113241623
N-(2-ethylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 55050638
2-hydrazinyl-N-naphthalen-1-ylpyridine-4-carboxamide
CID 62233221
4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide
CID 107802373
2-hydrazinyl-N-quinolin-8-ylpyridine-4-carboxamide
CID 62235936
N-(4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62249045
N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 107799217
2-(methylamino)-N-(2-methylphenyl)pyridine-4-carboxamide
CID 55042330

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide?
The IUPAC name of N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide (CID 107801443) is N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide?
The canonical SMILES for N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide is Cc1cccc(NC(=O)c2ccnc(NN)c2)c1C#N.
What is the InChIKey of N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide?
The InChIKey is SHNLLMJWWXAOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-9-3-2-4-12(11(9)8-15)18-14(20)10-5-6-17-13(7-10)19-16/h2-7H,16H2,1H3,(H,17,19)(H,18,20).
What are the key properties of N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide?
N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide is sourced from PubChem (CID 107801443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).