3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide

C18H14ClN3O — CID 110714398

IUPAC3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(-c2ccccn2)nc1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClN3O/c19-15-5-3-4-14(10-15)18(23)22-12-13-7-8-17(21-11-13)16-6-1-2-9-20-16/h1-11H,12H2,(H,22,23)
InChIKeyVBZJAQSVLQIXJP-UHFFFAOYSA-N
MW323.78 g/mol
LogP3.73
Rot. Bonds4

About 3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide

3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide (PubChem CID 110714398) has the molecular formula C18H14ClN3O and a molecular weight of 323.78 g/mol. Its IUPAC name is 3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide
PubChem CID110714398
Molecular FormulaC18H14ClN3O
Molecular Weight323.78 g/mol
Exact Mass323.08
IUPAC Name3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide
SMILESO=C(NCc1ccc(-c2ccccn2)nc1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClN3O/c19-15-5-3-4-14(10-15)18(23)22-12-13-7-8-17(21-11-13)16-6-1-2-9-20-16/h1-11H,12H2,(H,22,23)
InChIKeyVBZJAQSVLQIXJP-UHFFFAOYSA-N
XLogP3.73
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.78
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenoxy-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]acetamide
CID 110714395
2-(4-methoxyphenyl)-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]acetamide
CID 110714393
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
N-[(2S)-1-oxo-3-pyridin-4-yl-1-[(6-pyridin-2-yl-3-pyridinyl)methylamino]propan-2-yl]benzamide
CID 166513917
N-[[4-(benzenesulfonamidomethyl)phenyl]methyl]-3-chlorobenzamide
CID 130431453
N-[(3-chlorophenyl)methyl]-6-pyrimidin-5-ylpyridine-3-carboxamide
CID 91634104
2-[(3-chlorobenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 6457396
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-[(3-chlorophenyl)methyl]-2-(3-pyridin-2-yl-1H-1,2,4-triazol-5-yl)acetamide
CID 53168756
1-N-[(4-fluorophenyl)methyl]-3-N-(pyridin-2-ylmethyl)benzene-1,3-dicarboxamide
CID 109054659
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-methylsulfanylbenzamide
CID 121022535
5-[[(3-hydroxybenzoyl)amino]methyl]pyridine-2-carboxylic acid
CID 81099820

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide (CID 110714398) is 3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide is O=C(NCc1ccc(-c2ccccn2)nc1)c1cccc(Cl)c1.
What is the InChIKey of 3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is VBZJAQSVLQIXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O/c19-15-5-3-4-14(10-15)18(23)22-12-13-7-8-17(21-11-13)16-6-1-2-9-20-16/h1-11H,12H2,(H,22,23).
What are the key properties of 3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide?
3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 323.78 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(6-pyridin-2-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 110714398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).