3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide

C13H17ClN2O2 — CID 106123323

IUPAC3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1ccncc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-12-8-15-6-5-11(12)13(18)16-7-9-1-3-10(17)4-2-9/h5-6,8-10,17H,1-4,7H2,(H,16,18)
InChIKeyXZKUTCGFGMQIBG-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.02
Rot. Bonds3

About 3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide

3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide (PubChem CID 106123323) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
PubChem CID106123323
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
SMILESO=C(NCC1CCC(O)CC1)c1ccncc1Cl
InChIInChI=1S/C13H17ClN2O2/c14-12-8-15-6-5-11(12)13(18)16-7-9-1-3-10(17)4-2-9/h5-6,8-10,17H,1-4,7H2,(H,16,18)
InChIKeyXZKUTCGFGMQIBG-UHFFFAOYSA-N
XLogP2.02
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106134901
3-chloro-N-(pyrrolidin-3-ylmethyl)pyridine-4-carboxamide
CID 80564619
3-chloro-N-[(3-chlorocyclohexyl)methyl]pyridine-4-carboxamide
CID 106132458
N-[(3-bromocyclohexyl)methyl]-3-chloropyridine-4-carboxamide
CID 106133233
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-methylbenzamide
CID 106124243
4-chloro-N-(cyclohexylmethyl)pyridine-3-carboxamide
CID 81225483
3-chloro-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 66484559
3-chloro-N-[3-(4-hydroxypiperidin-1-yl)propyl]pyridine-4-carboxamide
CID 111499093
5-amino-2-chloro-N-[(4-hydroxycyclohexyl)methyl]benzamide
CID 106119078
2-chloro-N-[(4-hydroxycyclohexyl)methyl]-4-nitrobenzamide
CID 106122720
3-chloro-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]pyridine-4-carboxamide
CID 66484887
3-chloro-N-(3-cyclopentylpropyl)pyridine-4-carboxamide
CID 103714800

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide (CID 106123323) is 3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide is O=C(NCC1CCC(O)CC1)c1ccncc1Cl.
What is the InChIKey of 3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
The InChIKey is XZKUTCGFGMQIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-12-8-15-6-5-11(12)13(18)16-7-9-1-3-10(17)4-2-9/h5-6,8-10,17H,1-4,7H2,(H,16,18).
What are the key properties of 3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide?
3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(4-hydroxycyclohexyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 106123323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).