4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide

C13H17ClN2O — CID 81225483

IUPAC4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cnccc1Cl
InChIInChI=1S/C13H17ClN2O/c14-12-6-7-15-9-11(12)13(17)16-8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,16,17)
InChIKeyQHBCBJDDVFAURD-UHFFFAOYSA-N
MW252.74 g/mol
LogP3.05
Rot. Bonds3

About 4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide

4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide (PubChem CID 81225483) has the molecular formula C13H17ClN2O and a molecular weight of 252.74 g/mol. Its IUPAC name is 4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
PubChem CID81225483
Molecular FormulaC13H17ClN2O
Molecular Weight252.74 g/mol
Exact Mass252.10
IUPAC Name4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
SMILESO=C(NCC1CCCCC1)c1cnccc1Cl
InChIInChI=1S/C13H17ClN2O/c14-12-6-7-15-9-11(12)13(17)16-8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,16,17)
InChIKeyQHBCBJDDVFAURD-UHFFFAOYSA-N
XLogP3.05
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 ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(cyclopentylmethyl)-4-hydrazinylpyridine-3-carboxamide
CID 81256785
4-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-3-carboxamide
CID 103872767
N-(cyclopentylmethyl)-4-(ethylamino)pyridine-3-carboxamide
CID 81236600
4-chloro-N-(thiolan-2-ylmethyl)pyridine-3-carboxamide
CID 81233110
4-chloro-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 81225863
3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 106123323
3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide
CID 106132458
N-[(4-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106134901
N-[(3-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106133233
2,3-dichloro-N-(cyclohexylmethyl)benzamide
CID 23019884
4-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
CID 81229419
5-amino-2-chloro-N-(cyclohexylmethyl)benzamide
CID 43371364

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide (CID 81225483) is 4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide is O=C(NCC1CCCCC1)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide?
The InChIKey is QHBCBJDDVFAURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O/c14-12-6-7-15-9-11(12)13(17)16-8-10-4-2-1-3-5-10/h6-7,9-10H,1-5,8H2,(H,16,17).
What are the key properties of 4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide?
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide has a molecular weight of 252.74 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 81225483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).