6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide

C13H17ClN2O — CID 107417789

IUPAC6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
SMILESCC1CCCC1CNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H17ClN2O/c1-9-4-2-5-10(9)8-15-13(17)11-6-3-7-12(14)16-11/h3,6-7,9-10H,2,4-5,8H2,1H3,(H,15,17)
InChIKeyBNVUHWPZKKCROK-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.90
Rot. Bonds3

About 6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide

6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide (PubChem CID 107417789) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
PubChem CID107417789
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
SMILESCC1CCCC1CNC(=O)c1cccc(Cl)n1
InChIInChI=1S/C13H17ClN2O/c1-9-4-2-5-10(9)8-15-13(17)11-6-3-7-12(14)16-11/h3,6-7,9-10H,2,4-5,8H2,1H3,(H,15,17)
InChIKeyBNVUHWPZKKCROK-UHFFFAOYSA-N
XLogP2.90
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.74
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107418817
2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417784
4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 54983100
2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417821
6-chloro-N-(piperidin-4-ylmethyl)pyridine-2-carboxamide;hydrochloride
CID 91645277
6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543
6-chloro-N-(2-cyclopropylpropyl)pyridine-2-carboxamide
CID 115599506
2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 54983144
3-amino-2-chloro-N-[(2-methylcyclohexyl)methyl]benzamide
CID 112575789
2-chloro-5-hydroxy-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107418935
6-fluoro-N-[[2-(hydroxymethyl)cyclopentyl]methyl]pyridine-2-carboxamide
CID 115497967
5-(ethylamino)-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 104640456

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide?
The IUPAC name of 6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide (CID 107417789) is 6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide is CC1CCCC1CNC(=O)c1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide?
The InChIKey is BNVUHWPZKKCROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-4-2-5-10(9)8-15-13(17)11-6-3-7-12(14)16-11/h3,6-7,9-10H,2,4-5,8H2,1H3,(H,15,17).
What are the key properties of 6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide?
6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 107417789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).