3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide

C14H12ClN5O — CID 62312640

IUPAC3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2nc(NN)ccc2Cl)c1
InChIInChI=1S/C14H12ClN5O/c15-11-4-5-12(20-17)19-13(11)14(21)18-8-10-3-1-2-9(6-10)7-16/h1-6H,8,17H2,(H,18,21)(H,19,20)
InChIKeyAXYRCNJKFXRFOR-UHFFFAOYSA-N
MW301.74 g/mol
LogP1.82
Rot. Bonds4

About 3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide

3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide (PubChem CID 62312640) has the molecular formula C14H12ClN5O and a molecular weight of 301.74 g/mol. Its IUPAC name is 3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
PubChem CID62312640
Molecular FormulaC14H12ClN5O
Molecular Weight301.74 g/mol
Exact Mass301.07
IUPAC Name3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2nc(NN)ccc2Cl)c1
InChIInChI=1S/C14H12ClN5O/c15-11-4-5-12(20-17)19-13(11)14(21)18-8-10-3-1-2-9(6-10)7-16/h1-6H,8,17H2,(H,18,21)(H,19,20)
InChIKeyAXYRCNJKFXRFOR-UHFFFAOYSA-N
XLogP1.82
TPSA103.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.74
LogP ≤ 51.82
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

3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62532452
N-[(3-cyanophenyl)methyl]-4-hydrazinylpyridine-3-carboxamide
CID 81256233
2-amino-6-chloro-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 62314787
2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55115826
3-amino-N-[(3-cyanophenyl)methyl]-2-methylbenzamide
CID 61101981
N-[(3-cyanophenyl)methyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81244932
3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 62989223
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
3,6-dichloro-N-[(4-cyanophenyl)methyl]pyridine-2-carboxamide
CID 60736617
2-(3-chlorophenyl)-N-[(3-cyanophenyl)methyl]acetamide
CID 62503408
3-amino-N-[(3-cyanophenyl)methyl]pyridine-4-carboxamide
CID 105069773

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide (CID 62312640) is 3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide is N#Cc1cccc(CNC(=O)c2nc(NN)ccc2Cl)c1.
What is the InChIKey of 3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
The InChIKey is AXYRCNJKFXRFOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN5O/c15-11-4-5-12(20-17)19-13(11)14(21)18-8-10-3-1-2-9(6-10)7-16/h1-6H,8,17H2,(H,18,21)(H,19,20).
What are the key properties of 3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide?
3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide has a molecular weight of 301.74 g/mol, XLogP of 1.82, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3-cyanophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide is sourced from PubChem (CID 62312640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).