N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide

C13H18N2O2 — CID 62520732

IUPACN-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1(CO)CCCCC1)c1cccnc1
InChIInChI=1S/C13H18N2O2/c16-10-13(6-2-1-3-7-13)15-12(17)11-5-4-8-14-9-11/h4-5,8-9,16H,1-3,6-7,10H2,(H,15,17)
InChIKeyAJHWJYRGMMMKSS-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.51
Rot. Bonds3

About N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide

N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide (PubChem CID 62520732) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
PubChem CID62520732
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC NameN-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
SMILESO=C(NC1(CO)CCCCC1)c1cccnc1
InChIInChI=1S/C13H18N2O2/c16-10-13(6-2-1-3-7-13)15-12(17)11-5-4-8-14-9-11/h4-5,8-9,16H,1-3,6-7,10H2,(H,15,17)
InChIKeyAJHWJYRGMMMKSS-UHFFFAOYSA-N
XLogP1.51
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 ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)cyclopentyl]pyrazine-2-carboxamide
CID 62519593
3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]pyridine-2-carboxamide
CID 55081325
N-[1-(hydroxymethyl)cyclohexyl]-3-methylbenzamide
CID 62520382
2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid
CID 63614286
3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide
CID 113447709
3-amino-N-[1-(hydroxymethyl)cyclopentyl]benzamide
CID 55081511
N-[[1-(chloromethyl)cyclopentyl]methyl]pyridine-3-carboxamide
CID 115364055
N-[1-(hydroxymethyl)cyclopentyl]-1H-pyrrole-3-carboxamide
CID 110008429
N-[1-(hydroxymethyl)cyclohexyl]thiophene-3-carboxamide
CID 62520743
1-[[[3-(pyridine-3-carbonylamino)benzoyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120544310
N-[[1-(hydroxymethyl)cyclohexyl]methyl]-4-oxo-4-pyridin-3-ylbutanamide
CID 110631539
2-[1-(pyridin-3-ylcarbamoylamino)cyclohexyl]acetic acid
CID 64701210

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide (CID 62520732) is N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide is O=C(NC1(CO)CCCCC1)c1cccnc1.
What is the InChIKey of N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide?
The InChIKey is AJHWJYRGMMMKSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c16-10-13(6-2-1-3-7-13)15-12(17)11-5-4-8-14-9-11/h4-5,8-9,16H,1-3,6-7,10H2,(H,15,17).
What are the key properties of N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide?
N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide is sourced from PubChem (CID 62520732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).