5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide

C14H12ClN5O — CID 107801438

IUPAC5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NN)c(Cl)c2)c1C#N
InChIInChI=1S/C14H12ClN5O/c1-8-3-2-4-12(10(8)6-16)19-14(21)9-5-11(15)13(20-17)18-7-9/h2-5,7H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyICECMRQMUHSKCN-UHFFFAOYSA-N
MW301.74 g/mol
LogP2.45
Rot. Bonds3

About 5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide

5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide (PubChem CID 107801438) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
PubChem CID107801438
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide
SMILESCc1cccc(NC(=O)c2cnc(NN)c(Cl)c2)c1C#N
InChIInChI=1S/C14H12ClN5O/c1-8-3-2-4-12(10(8)6-16)19-14(21)9-5-11(15)13(20-17)18-7-9/h2-5,7H,17H2,1H3,(H,18,20)(H,19,21)
InChIKeyICECMRQMUHSKCN-UHFFFAOYSA-N
XLogP2.45
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 52.45
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'}

Analyze 5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-chloro-N-(2-cyano-3-methylphenyl)benzamide
CID 107802373
N-(2-cyano-3-methylphenyl)-5-hydrazinylpyrazine-2-carboxamide
CID 107801459
6-[(2-cyano-3-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107800327
N-(2-cyano-3-methylphenyl)-2-hydrazinylpyridine-4-carboxamide
CID 107801443
N-(2-cyano-3-methylphenyl)-5-hydroxypyridine-3-carboxamide
CID 107799217
5-chloro-N-(2,3-difluorophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62236975
5-chloro-N-(2,3-dimethylphenyl)-6-(methylamino)pyridine-3-carboxamide
CID 62165739
5-chloro-N-(4-cyanophenyl)-6-hydrazinylpyridine-3-carboxamide
CID 62248864
5-chloro-N-(2-cyano-3-methylphenyl)-2-(methylamino)pyridine-4-carboxamide
CID 107801317
4-chloro-N-(2-cyano-3-methylphenyl)pyridine-3-carboxamide
CID 114003049
N-(2-cyano-3-methylphenyl)-4-iodobenzamide
CID 113241623
2-[(3,5-dichloro-6-hydrazinyl-2-pyridinyl)amino]-6-methylbenzonitrile
CID 107802103

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide (CID 107801438) is 5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide is Cc1cccc(NC(=O)c2cnc(NN)c(Cl)c2)c1C#N.
What is the InChIKey of 5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide?
The InChIKey is ICECMRQMUHSKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c1-8-3-2-4-12(10(8)6-16)19-14(21)9-5-11(15)13(20-17)18-7-9/h2-5,7H,17H2,1H3,(H,18,20)(H,19,21).
What are the key properties of 5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide?
5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide has a molecular weight of 301.74 g/mol, XLogP of 2.45, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-cyano-3-methylphenyl)-6-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 107801438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).