N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C12H18N2O3 — CID 113384178

IUPACN-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)CC(C)O)c(=O)[nH]1
InChIInChI=1S/C12H18N2O3/c1-7-4-5-10(11(16)13-7)12(17)14-8(2)6-9(3)15/h4-5,8-9,15H,6H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyICDQHWQTAOHGGX-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.57
Rot. Bonds4

About N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 113384178) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID113384178
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NC(C)CC(C)O)c(=O)[nH]1
InChIInChI=1S/C12H18N2O3/c1-7-4-5-10(11(16)13-7)12(17)14-8(2)6-9(3)15/h4-5,8-9,15H,6H2,1-3H3,(H,13,16)(H,14,17)
InChIKeyICDQHWQTAOHGGX-UHFFFAOYSA-N
XLogP0.57
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 97005058
N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113451622
N-[(1S)-1-(furan-2-yl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976314
6-methyl-2-oxo-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]-1H-pyridine-3-carboxamide
CID 97240890
N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 103798972
N-(4-hydroxypentan-2-yl)-2,6-dimethylpyridine-3-carboxamide
CID 113376501
6-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976841
(2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 114004919
4-bromo-N-(4-hydroxypentan-2-yl)-2-methylbenzamide
CID 113376588
N-[bis(4-hydroxyphenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 155464294
2,3,4-trifluoro-N-(4-hydroxypentan-2-yl)benzamide
CID 113376547
6-methyl-2-oxo-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95976232

Frequently Asked Questions

What is the IUPAC name of N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 113384178) is N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)NC(C)CC(C)O)c(=O)[nH]1.
What is the InChIKey of N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is ICDQHWQTAOHGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7-4-5-10(11(16)13-7)12(17)14-8(2)6-9(3)15/h4-5,8-9,15H,6H2,1-3H3,(H,13,16)(H,14,17).
What are the key properties of N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.57, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 113384178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).