2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide

C14H20N2O4 — CID 62525984

IUPAC2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCC1CCCC(CO)(NC(=O)c2cc(O)[nH]c(=O)c2)C1
InChIInChI=1S/C14H20N2O4/c1-9-3-2-4-14(7-9,8-17)16-13(20)10-5-11(18)15-12(19)6-10/h5-6,9,17H,2-4,7-8H2,1H3,(H,16,20)(H2,15,18,19)
InChIKeyQXJQBHFMYIBTAL-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.75
Rot. Bonds3

About 2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide

2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 62525984) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID62525984
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCC1CCCC(CO)(NC(=O)c2cc(O)[nH]c(=O)c2)C1
InChIInChI=1S/C14H20N2O4/c1-9-3-2-4-14(7-9,8-17)16-13(20)10-5-11(18)15-12(19)6-10/h5-6,9,17H,2-4,7-8H2,1H3,(H,16,20)(H2,15,18,19)
InChIKeyQXJQBHFMYIBTAL-UHFFFAOYSA-N
XLogP0.75
TPSA102.42 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 65123700
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-3-carboxamide
CID 62525635
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-4-methoxybenzamide
CID 62527012
4-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-1H-pyrrole-2-carboxamide
CID 62525276
2,6-dihydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107690075
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-3-iodobenzamide
CID 62526843
2-ethyl-N-[1-(hydroxymethyl)cyclopentyl]-6-oxo-1H-pyridine-4-carboxamide
CID 167980554
4-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527563
5-bromo-2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 107729897
2,5-dichloro-N-[1-(hydroxymethyl)-3-methylcyclohexyl]benzamide
CID 62527722
N-[1-(hydroxymethyl)-3-methylcyclohexyl]-2,5-dimethylbenzamide
CID 62526492
5-bromo-N-[1-(hydroxymethyl)-3-methylcyclohexyl]thiophene-2-carboxamide
CID 62527720

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide (CID 62525984) is 2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide is CC1CCCC(CO)(NC(=O)c2cc(O)[nH]c(=O)c2)C1.
What is the InChIKey of 2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is QXJQBHFMYIBTAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-3-2-4-14(7-9,8-17)16-13(20)10-5-11(18)15-12(19)6-10/h5-6,9,17H,2-4,7-8H2,1H3,(H,16,20)(H2,15,18,19).
What are the key properties of 2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide?
2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide has a molecular weight of 280.32 g/mol, XLogP of 0.75, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-N-[1-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 62525984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).