N-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide

C12H18N2O4 — CID 56724187

IUPACN-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOCC(C)(O)CNC(=O)c1cccn(C)c1=O
InChIInChI=1S/C12H18N2O4/c1-12(17,8-18-3)7-13-10(15)9-5-4-6-14(2)11(9)16/h4-6,17H,7-8H2,1-3H3,(H,13,15)
InChIKeyWZMLQCPOGVGKOE-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.49
Rot. Bonds5

About N-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide

N-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide (PubChem CID 56724187) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide
PubChem CID56724187
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide
SMILESCOCC(C)(O)CNC(=O)c1cccn(C)c1=O
InChIInChI=1S/C12H18N2O4/c1-12(17,8-18-3)7-13-10(15)9-5-4-6-14(2)11(9)16/h4-6,17H,7-8H2,1-3H3,(H,13,15)
InChIKeyWZMLQCPOGVGKOE-UHFFFAOYSA-N
XLogP-0.49
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide (CID 56724187) is N-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide is COCC(C)(O)CNC(=O)c1cccn(C)c1=O.
What is the InChIKey of N-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide?
The InChIKey is WZMLQCPOGVGKOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-12(17,8-18-3)7-13-10(15)9-5-4-6-14(2)11(9)16/h4-6,17H,7-8H2,1-3H3,(H,13,15).
What are the key properties of N-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide?
N-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of -0.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxy-2-methylpropyl)-1-methyl-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 56724187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).