2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide

C12H10ClN3O — CID 103738978

IUPAC2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1cncc(NC(=O)c2cccnc2Cl)c1
InChIInChI=1S/C12H10ClN3O/c1-8-5-9(7-14-6-8)16-12(17)10-3-2-4-15-11(10)13/h2-7H,1H3,(H,16,17)
InChIKeyFUNLIGZZYQWGTE-UHFFFAOYSA-N
MW247.69 g/mol
LogP2.69
Rot. Bonds2

About 2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide

2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide (PubChem CID 103738978) has the molecular formula C12H10ClN3O and a molecular weight of 247.69 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
PubChem CID103738978
Molecular FormulaC12H10ClN3O
Molecular Weight247.69 g/mol
Exact Mass247.05
IUPAC Name2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide
SMILESCc1cncc(NC(=O)c2cccnc2Cl)c1
InChIInChI=1S/C12H10ClN3O/c1-8-5-9(7-14-6-8)16-12(17)10-3-2-4-15-11(10)13/h2-7H,1H3,(H,16,17)
InChIKeyFUNLIGZZYQWGTE-UHFFFAOYSA-N
XLogP2.69
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.69
LogP ≤ 52.69
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

N-(5-bromo-6-chloro-3-pyridinyl)-2-chloropyridine-3-carboxamide
CID 103816473
1-chloro-N-(5-methyl-3-pyridinyl)isoquinoline-4-carboxamide
CID 106831970
N-(4-bromophenyl)-2-chloropyridine-3-carboxamide
CID 4604195
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522
2-chloro-N-(5-methyl-3-pyridinyl)-5-sulfanylbenzamide
CID 107587050
2-chloro-N-(3-methyl-4-nitrophenyl)pyridine-3-carboxamide
CID 60722571
2,3-difluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 107470488
2-chloro-N-(3-hydroxy-4-methoxyphenyl)pyridine-3-carboxamide
CID 60637342
2-chloro-N-(4-methoxy-3-methylphenyl)pyridine-3-carboxamide
CID 61072257
2-chloro-N-[3-(dimethylamino)-4-methylphenyl]pyridine-3-carboxamide
CID 115376771
3-fluoro-N-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 103738947
2-chloro-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 4063614

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide (CID 103738978) is 2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide is Cc1cncc(NC(=O)c2cccnc2Cl)c1.
What is the InChIKey of 2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide?
The InChIKey is FUNLIGZZYQWGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O/c1-8-5-9(7-14-6-8)16-12(17)10-3-2-4-15-11(10)13/h2-7H,1H3,(H,16,17).
What are the key properties of 2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide?
2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide has a molecular weight of 247.69 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-3-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 103738978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).