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

C19H30N2O4 — CID 174523156

IUPAC2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-ethylpentanoic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)NC(C(=O)O)C(CC)CC)c1=O
InChIInChI=1S/C19H30N2O4/c1-6-9-10-21-13(5)12(4)11-15(18(21)23)17(22)20-16(19(24)25)14(7-2)8-3/h11,14,16H,6-10H2,1-5H3,(H,20,22)(H,24,25)
InChIKeyGVOGFSWSFAGASD-UHFFFAOYSA-N
MW350.46 g/mol
LogP2.88
Rot. Bonds9

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

2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-ethylpentanoic acid (PubChem CID 174523156) has the molecular formula C19H30N2O4 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-ethylpentanoic acid.

Molecular Properties

Compound Name2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-ethylpentanoic acid
PubChem CID174523156
Molecular FormulaC19H30N2O4
Molecular Weight350.46 g/mol
Exact Mass350.22
IUPAC Name2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-ethylpentanoic acid
SMILESCCCCn1c(C)c(C)cc(C(=O)NC(C(=O)O)C(CC)CC)c1=O
InChIInChI=1S/C19H30N2O4/c1-6-9-10-21-13(5)12(4)11-15(18(21)23)17(22)20-16(19(24)25)14(7-2)8-3/h11,14,16H,6-10H2,1-5H3,(H,20,22)(H,24,25)
InChIKeyGVOGFSWSFAGASD-UHFFFAOYSA-N
XLogP2.88
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 52.88
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]-3-ethylpentanoic acid?
The IUPAC name of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-ethylpentanoic acid (CID 174523156) is 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-ethylpentanoic acid.
What is the SMILES notation for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-ethylpentanoic acid?
The canonical SMILES for 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-ethylpentanoic acid is CCCCn1c(C)c(C)cc(C(=O)NC(C(=O)O)C(CC)CC)c1=O.
What is the InChIKey of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-ethylpentanoic acid?
The InChIKey is GVOGFSWSFAGASD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O4/c1-6-9-10-21-13(5)12(4)11-15(18(21)23)17(22)20-16(19(24)25)14(7-2)8-3/h11,14,16H,6-10H2,1-5H3,(H,20,22)(H,24,25).
What are the key properties of 2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-ethylpentanoic acid?
2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-ethylpentanoic acid has a molecular weight of 350.46 g/mol, XLogP of 2.88, 9 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]-3-ethylpentanoic acid is sourced from PubChem (CID 174523156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).