N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

C12H18N2O3 — CID 97005058

IUPACN-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)[C@@H](C)CO)c(=O)[nH]1
InChIInChI=1S/C12H18N2O3/c1-7(6-15)9(3)14-12(17)10-5-4-8(2)13-11(10)16/h4-5,7,9,15H,6H2,1-3H3,(H,13,16)(H,14,17)/t7-,9-/m0/s1
InChIKeyWPOYJYYLCPMNTO-CBAPKCEASA-N
MW238.29 g/mol
LogP0.43
Rot. Bonds4

About N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide

N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 97005058) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID97005058
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC NameN-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N[C@@H](C)[C@@H](C)CO)c(=O)[nH]1
InChIInChI=1S/C12H18N2O3/c1-7(6-15)9(3)14-12(17)10-5-4-8(2)13-11(10)16/h4-5,7,9,15H,6H2,1-3H3,(H,13,16)(H,14,17)/t7-,9-/m0/s1
InChIKeyWPOYJYYLCPMNTO-CBAPKCEASA-N
XLogP0.43
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 ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide with MolForge

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 103798972
N-(4-hydroxypentan-2-yl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113384178
(2S)-4-hydroxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 114004919
6-methyl-N-[(1S)-1-(5-methylthiophen-2-yl)ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 95976841
N-[bis(4-hydroxyphenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 155464294
6-methyl-2-oxo-N-[(2R)-4-oxo-4-thiophen-2-ylbutan-2-yl]-1H-pyridine-3-carboxamide
CID 97240890
N-[(1S)-1-(furan-2-yl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95976314
N-(4-hydroxy-3-methylbutan-2-yl)-2-sulfanylbenzamide
CID 107035471
N-[(1R)-1-(4-chloro-3-fluorophenyl)-2-hydroxyethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 97259860
6-methyl-2-oxo-N-[(1S)-1-pyridin-2-ylethyl]-1H-pyridine-3-carboxamide
CID 95976232
(2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820927
N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113351778

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide (CID 97005058) is N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(=O)N[C@@H](C)[C@@H](C)CO)c(=O)[nH]1.
What is the InChIKey of N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is WPOYJYYLCPMNTO-CBAPKCEASA-N. The full InChI is InChI=1S/C12H18N2O3/c1-7(6-15)9(3)14-12(17)10-5-4-8(2)13-11(10)16/h4-5,7,9,15H,6H2,1-3H3,(H,13,16)(H,14,17)/t7-,9-/m0/s1.
What are the key properties of N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide?
N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 238.29 g/mol, XLogP of 0.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 97005058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).