6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

C12H10ClN3O — CID 62232710

IUPAC6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cccc(Cl)n1
InChIInChI=1S/C12H10ClN3O/c13-11-3-1-2-10(16-11)12(17)15-8-9-4-6-14-7-5-9/h1-7H,8H2,(H,15,17)
InChIKeyWLXHHHVNSUKIGG-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.06
Rot. Bonds3

About 6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide

6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (PubChem CID 62232710) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
PubChem CID62232710
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1ccncc1)c1cccc(Cl)n1
InChIInChI=1S/C12H10ClN3O/c13-11-3-1-2-10(16-11)12(17)15-8-9-4-6-14-7-5-9/h1-7H,8H2,(H,15,17)
InChIKeyWLXHHHVNSUKIGG-UHFFFAOYSA-N
XLogP2.06
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-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

2-N-[(4-methylphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109097501
methyl 6-(pyridin-4-ylmethylcarbamoyl)pyridine-2-carboxylate
CID 47408889
6-chloro-N-[(4-nitrophenyl)methyl]pyridine-2-carboxamide
CID 24903452
6-N-tert-butyl-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098333
N-[(3-bromophenyl)methyl]-6-chloropyridine-2-carboxamide
CID 24903437
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
6-N-(3-chloro-4-fluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098377
6-N-(3,4-difluorophenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098412
6-N-(4-methoxyphenyl)-2-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098383
2,6-dichloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 113227298
6-chloro-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 62234229
6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide
CID 104579396

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide (CID 62232710) is 6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is O=C(NCc1ccncc1)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
The InChIKey is WLXHHHVNSUKIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-11-3-1-2-10(16-11)12(17)15-8-9-4-6-14-7-5-9/h1-7H,8H2,(H,15,17).
What are the key properties of 6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide?
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide has a molecular weight of 247.69 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 62232710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).