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

C14H20N2O4 — CID 65123700

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

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

2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide (PubChem CID 65123700) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound Name2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
PubChem CID65123700
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide
SMILESCC1CCCC(O)(CNC(=O)c2cc(O)[nH]c(=O)c2)C1
InChIInChI=1S/C14H20N2O4/c1-9-3-2-4-14(20,7-9)8-15-13(19)10-5-11(17)16-12(18)6-10/h5-6,9,20H,2-4,7-8H2,1H3,(H,15,19)(H2,16,17,18)
InChIKeyCIPKMVUMWGZLBA-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-(hydroxymethyl)-3-methylcyclohexyl]-6-oxo-1H-pyridine-4-carboxamide
CID 62525984
4-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzene-1,4-dicarboxamide
CID 65123811
3-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-5-methylbenzamide
CID 115664965
4-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3-methylbenzamide
CID 103957333
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-3,4-dimethylbenzamide
CID 65124144
2-hydroxy-N-[(3-hydroxyoxolan-3-yl)methyl]-6-oxo-1H-pyridine-4-carboxamide
CID 106102857
3-bromo-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124230
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-4-propan-2-ylbenzamide
CID 65124108
4-(dimethylamino)-N-[(1-hydroxy-3-methylcyclohexyl)methyl]benzamide
CID 65124137
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyrazine-3-carboxamide
CID 65124084
N-[(1-hydroxy-3-methylcyclohexyl)methyl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 65123680
1-[[(2-hydroxy-6-oxo-1H-pyridine-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 113311941

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of 2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide (CID 65123700) is 2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for 2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for 2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide is CC1CCCC(O)(CNC(=O)c2cc(O)[nH]c(=O)c2)C1.
What is the InChIKey of 2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide?
The InChIKey is CIPKMVUMWGZLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-3-2-4-14(20,7-9)8-15-13(19)10-5-11(17)16-12(18)6-10/h5-6,9,20H,2-4,7-8H2,1H3,(H,15,19)(H2,16,17,18).
What are the key properties of 2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide?
2-hydroxy-N-[(1-hydroxy-3-methylcyclohexyl)methyl]-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-hydroxy-3-methylcyclohexyl)methyl]-6-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 65123700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).