N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide

C14H20N2O3 — CID 62525635

IUPACN-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC1CCCC(CO)(NC(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C14H20N2O3/c1-10-3-2-6-14(7-10,9-17)16-13(19)11-4-5-12(18)15-8-11/h4-5,8,10,17H,2-3,6-7,9H2,1H3,(H,15,18)(H,16,19)
InChIKeyRCXVNNVYAJWWOR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.05
Rot. Bonds3

About N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 62525635) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID62525635
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC NameN-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
SMILESCC1CCCC(CO)(NC(=O)c2ccc(=O)[nH]c2)C1
InChIInChI=1S/C14H20N2O3/c1-10-3-2-6-14(7-10,9-17)16-13(19)11-4-5-12(18)15-8-11/h4-5,8,10,17H,2-3,6-7,9H2,1H3,(H,15,18)(H,16,19)
InChIKeyRCXVNNVYAJWWOR-UHFFFAOYSA-N
XLogP1.05
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide
CID 62527012
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1H-pyrrole-2-carboxamide
CID 62525276
2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide
CID 62525984
6-(dimethylamino)-N-[1-(hydroxymethyl)-3-methylcyclohexyl]pyridine-3-carboxamide
CID 62526158
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
CID 62526843
5-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527720
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
CID 62526492
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1,3-thiazole-4-carboxamide
CID 63022352
3-ethyl-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527564
5-acetamido-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62526831

Frequently Asked Questions

What is the IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide (CID 62525635) is N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide is CC1CCCC(CO)(NC(=O)c2ccc(=O)[nH]c2)C1.
What is the InChIKey of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is RCXVNNVYAJWWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-3-2-6-14(7-10,9-17)16-13(19)11-4-5-12(18)15-8-11/h4-5,8,10,17H,2-3,6-7,9H2,1H3,(H,15,18)(H,16,19).
What are the key properties of N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 264.32 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 62525635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).