2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid

C16H24N2O4 — CID 69472125

IUPAC2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)NC(C)(C)C(=O)O)c1=O
InChIInChI=1S/C16H24N2O4/c1-6-7-8-18-11(3)10(2)9-12(14(18)20)13(19)17-16(4,5)15(21)22/h9H,6-8H2,1-5H3,(H,17,19)(H,21,22)
InChIKeyCIXDCZUROLSVFM-UHFFFAOYSA-N
MW308.38 g/mol
LogP1.86
Rot. Bonds6

About 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid

2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid (PubChem CID 69472125) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid
PubChem CID69472125
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)NC(C)(C)C(=O)O)c1=O
InChIInChI=1S/C16H24N2O4/c1-6-7-8-18-11(3)10(2)9-12(14(18)20)13(19)17-16(4,5)15(21)22/h9H,6-8H2,1-5H3,(H,17,19)(H,21,22)
InChIKeyCIXDCZUROLSVFM-UHFFFAOYSA-N
XLogP1.86
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid (CID 69472125) is 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid is CCCCn1c(C)c(C)cc(C(=O)NC(C)(C)C(=O)O)c1=O.
What is the InChIKey of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid?
The InChIKey is CIXDCZUROLSVFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-6-7-8-18-11(3)10(2)9-12(14(18)20)13(19)17-16(4,5)15(21)22/h9H,6-8H2,1-5H3,(H,17,19)(H,21,22).
What are the key properties of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid?
2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid has a molecular weight of 308.38 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 69472125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).