2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid

C19H30N2O4 — CID 150762523

IUPAC2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid
SMILESCCCCn1c(CC)c(C)cc(C(=O)NC(C)(C(=O)O)C(C)C)c1=O
InChIInChI=1S/C19H30N2O4/c1-7-9-10-21-15(8-2)13(5)11-14(17(21)23)16(22)20-19(6,12(3)4)18(24)25/h11-12H,7-10H2,1-6H3,(H,20,22)(H,24,25)
InChIKeyJYDBKERRXBINNB-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.75
Rot. Bonds8

About 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid

2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid (PubChem CID 150762523) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid
PubChem CID150762523
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid
SMILESCCCCn1c(CC)c(C)cc(C(=O)NC(C)(C(=O)O)C(C)C)c1=O
InChIInChI=1S/C19H30N2O4/c1-7-9-10-21-15(8-2)13(5)11-14(17(21)23)16(22)20-19(6,12(3)4)18(24)25/h11-12H,7-10H2,1-6H3,(H,20,22)(H,24,25)
InChIKeyJYDBKERRXBINNB-UHFFFAOYSA-N
XLogP2.75
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid?
The IUPAC name of 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid (CID 150762523) is 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid is CCCCn1c(CC)c(C)cc(C(=O)NC(C)(C(=O)O)C(C)C)c1=O.
What is the InChIKey of 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid?
The InChIKey is JYDBKERRXBINNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-7-9-10-21-15(8-2)13(5)11-14(17(21)23)16(22)20-19(6,12(3)4)18(24)25/h11-12H,7-10H2,1-6H3,(H,20,22)(H,24,25).
What are the key properties of 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid?
2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid has a molecular weight of 350.46 g/mol, XLogP of 2.75, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid is sourced from PubChem (CID 150762523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).