2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide

C13H17ClN2O — CID 107417784

IUPAC2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
SMILESCC1CCCC1CNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9-3-2-4-11(9)8-16-13(17)10-5-6-15-12(14)7-10/h5-7,9,11H,2-4,8H2,1H3,(H,16,17)
InChIKeyXLVONGSPUVUEJN-UHFFFAOYSA-N
MW252.74 g/mol
LogP2.90
Rot. Bonds3

About 2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide

2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide (PubChem CID 107417784) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
PubChem CID107417784
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
SMILESCC1CCCC1CNC(=O)c1ccnc(Cl)c1
InChIInChI=1S/C13H17ClN2O/c1-9-3-2-4-11(9)8-16-13(17)10-5-6-15-12(14)7-10/h5-7,9,11H,2-4,8H2,1H3,(H,16,17)
InChIKeyXLVONGSPUVUEJN-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

2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 54983144
2-(aminomethyl)-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107418474
2-fluoro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 55011733
2-chloro-6-methyl-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417821
4-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 54983100
4-hydroxy-3-methyl-N-[(2-methylcyclopentyl)methyl]benzamide
CID 107676879
2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 65118691
2-chloro-N-(thian-4-ylmethyl)pyridine-4-carboxamide
CID 115625144
N-[(2-methylcyclopentyl)methyl]-3H-benzimidazole-5-carboxamide
CID 107420236
6-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-2-carboxamide
CID 107417789
2-chloro-N-(oxan-3-ylmethyl)pyridine-4-carboxamide
CID 47298877
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-methylpyridine-4-carboxamide
CID 106754219

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide (CID 107417784) is 2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide is CC1CCCC1CNC(=O)c1ccnc(Cl)c1.
What is the InChIKey of 2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide?
The InChIKey is XLVONGSPUVUEJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c1-9-3-2-4-11(9)8-16-13(17)10-5-6-15-12(14)7-10/h5-7,9,11H,2-4,8H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide?
2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-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 2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 107417784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).