N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide

C13H18N2O2 — CID 111460504

IUPACN-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1ccccn1
InChIInChI=1S/C13H18N2O2/c16-11-5-3-4-10(8-11)9-15-13(17)12-6-1-2-7-14-12/h1-2,6-7,10-11,16H,3-5,8-9H2,(H,15,17)
InChIKeyDSWLRQDILLHHFB-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.36
Rot. Bonds3

About N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide

N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide (PubChem CID 111460504) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
PubChem CID111460504
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
SMILESO=C(NCC1CCCC(O)C1)c1ccccn1
InChIInChI=1S/C13H18N2O2/c16-11-5-3-4-10(8-11)9-15-13(17)12-6-1-2-7-14-12/h1-2,6-7,10-11,16H,3-5,8-9H2,(H,15,17)
InChIKeyDSWLRQDILLHHFB-UHFFFAOYSA-N
XLogP1.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-carboxamide
CID 103691065
3-amino-N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide
CID 106135008
6-chloro-N-[(3-hydroxycyclohexyl)methyl]pyridazine-3-carboxamide
CID 114146199
N-[(4-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 142228338
N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111460186
N-[(3-hydroxycyclohexyl)methyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 113241300
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
2-amino-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103950315
N-[(3-hydroxycyclopentyl)methyl]quinoxaline-2-carboxamide
CID 103280180
N-[(3-hydroxycyclohexyl)methyl]naphthalene-2-carboxamide
CID 103690977
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 103690727
2-[(2-fluorophenyl)methyl]-N-[(3-hydroxycyclohexyl)methyl]-1,3-thiazole-4-carboxamide
CID 111460007

Frequently Asked Questions

What is the IUPAC name of N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide?
The IUPAC name of N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide (CID 111460504) is N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide is O=C(NCC1CCCC(O)C1)c1ccccn1.
What is the InChIKey of N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide?
The InChIKey is DSWLRQDILLHHFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-11-5-3-4-10(8-11)9-15-13(17)12-6-1-2-7-14-12/h1-2,6-7,10-11,16H,3-5,8-9H2,(H,15,17).
What are the key properties of N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide?
N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-hydroxycyclohexyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 111460504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).