2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C12H10ClN3O — CID 4244473

IUPAC2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cccnc1Cl
InChIInChI=1S/C12H10ClN3O/c13-11-10(4-2-6-15-11)12(17)16-8-9-3-1-5-14-7-9/h1-7H,8H2,(H,16,17)
InChIKeyAJUXAMNFZJCGRU-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.06
Rot. Bonds3

About 2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 4244473) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID4244473
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnc1)c1cccnc1Cl
InChIInChI=1S/C12H10ClN3O/c13-11-10(4-2-6-15-11)12(17)16-8-9-3-1-5-14-7-9/h1-7H,8H2,(H,16,17)
InChIKeyAJUXAMNFZJCGRU-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'}

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Related Compounds

2-chloro-N-(pyridin-3-ylmethyl)benzamide
CID 669068
2-chloro-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 4165114
2-fluoro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 107358424
5-bromo-2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 62000615
N-(pyridin-3-ylmethyl)-2-[2-(pyridin-3-ylmethylcarbamoyl)phenyl]benzamide
CID 1279662
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
2-(pyridin-3-ylmethylcarbamoyl)pyridine-3-carboxylic acid
CID 19154891
2-chloro-N-[(3-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 24903460
2-fluoro-N-(pyridin-3-ylmethyl)benzamide
CID 741479
N-(pyridin-3-ylmethyl)pyridine-3-carboxamide;hydrochloride
CID 110755498
2-[(4-chlorophenyl)methoxy]-N-(pyridin-3-ylmethyl)benzamide
CID 27554596
3-bromo-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 107517841

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 4244473) is 2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccnc1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is AJUXAMNFZJCGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c13-11-10(4-2-6-15-11)12(17)16-8-9-3-1-5-14-7-9/h1-7H,8H2,(H,16,17).
What are the key properties of 2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-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 2-chloro-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 4244473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).