2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide

C14H19ClN2O2 — CID 65118691

IUPAC2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide
SMILESCC1CCC(O)(CNC(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-10-2-5-14(19,6-3-10)9-17-13(18)11-4-7-16-12(15)8-11/h4,7-8,10,19H,2-3,5-6,9H2,1H3,(H,17,18)
InChIKeyQBIVNJBCJJXFQN-UHFFFAOYSA-N
MW282.77 g/mol
LogP2.41
Rot. Bonds3

About 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide

2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide (PubChem CID 65118691) has the molecular formula C14H19ClN2O2 and a molecular weight of 282.77 g/mol. Its IUPAC name is 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide
PubChem CID65118691
Molecular FormulaC14H19ClN2O2
Molecular Weight282.77 g/mol
Exact Mass282.11
IUPAC Name2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide
SMILESCC1CCC(O)(CNC(=O)c2ccnc(Cl)c2)CC1
InChIInChI=1S/C14H19ClN2O2/c1-10-2-5-14(19,6-3-10)9-17-13(18)11-4-7-16-12(15)8-11/h4,7-8,10,19H,2-3,5-6,9H2,1H3,(H,17,18)
InChIKeyQBIVNJBCJJXFQN-UHFFFAOYSA-N
XLogP2.41
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.77
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2-methylcyclopentyl)methyl]pyridine-4-carboxamide
CID 107417784
2-chloro-N-[(2-methylcyclohexyl)methyl]pyridine-4-carboxamide
CID 54983144
4-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119060
2-chloro-N-[(1-ethylcyclobutyl)methyl]pyridine-4-carboxamide
CID 103741389
3,6-dichloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 65118546
5-chloro-2-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119441
6-bromo-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-3-carboxamide
CID 66464153
2-chloro-5-hydroxy-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 106502468
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-6-methoxypyridine-3-carboxamide
CID 65120212
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-1H-indazole-6-carboxamide
CID 65119013
N-[(1-hydroxy-4-methylcyclohexyl)methyl]-4-methoxybenzamide
CID 65119825
4-chloro-2-fluoro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]benzamide
CID 65119892

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide (CID 65118691) is 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide is CC1CCC(O)(CNC(=O)c2ccnc(Cl)c2)CC1.
What is the InChIKey of 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide?
The InChIKey is QBIVNJBCJJXFQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN2O2/c1-10-2-5-14(19,6-3-10)9-17-13(18)11-4-7-16-12(15)8-11/h4,7-8,10,19H,2-3,5-6,9H2,1H3,(H,17,18).
What are the key properties of 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide?
2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide has a molecular weight of 282.77 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(1-hydroxy-4-methylcyclohexyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 65118691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).