N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide

C13H10ClN5O — CID 81255856

IUPACN-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnccc2NN)cc1Cl
InChIInChI=1S/C13H10ClN5O/c14-11-5-9(2-1-8(11)6-15)18-13(20)10-7-17-4-3-12(10)19-16/h1-5,7H,16H2,(H,17,19)(H,18,20)
InChIKeyPYAJMRKAVWUUDV-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.14
Rot. Bonds3

About N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide

N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide (PubChem CID 81255856) has the molecular formula C13H10ClN5O and a molecular weight of 287.71 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide
PubChem CID81255856
Molecular FormulaC13H10ClN5O
Molecular Weight287.71 g/mol
Exact Mass287.06
IUPAC NameN-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide
SMILESN#Cc1ccc(NC(=O)c2cnccc2NN)cc1Cl
InChIInChI=1S/C13H10ClN5O/c14-11-5-9(2-1-8(11)6-15)18-13(20)10-7-17-4-3-12(10)19-16/h1-5,7H,16H2,(H,17,19)(H,18,20)
InChIKeyPYAJMRKAVWUUDV-UHFFFAOYSA-N
XLogP2.14
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.14
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-(4-chloro-3-nitrophenyl)-4-hydrazinylpyridine-3-carboxamide
CID 107812142
N-(3-chloro-4-cyanophenyl)-2-hydrazinylpyridine-4-carboxamide
CID 62241163
N-(3-chloro-4-cyanophenyl)-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81237328
2-amino-4-chloro-N-(3-chloro-4-cyanophenyl)benzamide
CID 43168358
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-3-carboxamide
CID 103756371
N-(3-chloro-4-methylphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81233976
4-hydrazinyl-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 81255713
3-chloro-N-(5-chloro-2-cyanophenyl)pyridine-4-carboxamide
CID 66463010
2-bromo-N-(3-chloro-4-cyanophenyl)pyridine-4-carboxamide
CID 113255877
N-(3-chloro-4-cyanophenyl)-3-hydroxypyridine-2-carboxamide
CID 54861491
N-(3-chloro-4-cyanophenyl)-2,5-dimethylfuran-3-carboxamide
CID 78780293
N-(3-chloro-4-cyanophenyl)-2-phenoxybenzamide
CID 1150855

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide (CID 81255856) is N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide is N#Cc1ccc(NC(=O)c2cnccc2NN)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide?
The InChIKey is PYAJMRKAVWUUDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN5O/c14-11-5-9(2-1-8(11)6-15)18-13(20)10-7-17-4-3-12(10)19-16/h1-5,7H,16H2,(H,17,19)(H,18,20).
What are the key properties of N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide?
N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide has a molecular weight of 287.71 g/mol, XLogP of 2.14, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-4-hydrazinylpyridine-3-carboxamide is sourced from PubChem (CID 81255856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).