2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid

C21H34N2O4 — CID 69474466

IUPAC2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid
SMILESCCc1c(C)cc(C(=O)NC(CC(C)(C)C)C(=O)O)c(=O)n1CCC(C)C
InChIInChI=1S/C21H34N2O4/c1-8-17-14(4)11-15(19(25)23(17)10-9-13(2)3)18(24)22-16(20(26)27)12-21(5,6)7/h11,13,16H,8-10,12H2,1-7H3,(H,22,24)(H,26,27)
InChIKeySPZPGCYDYJCHFX-UHFFFAOYSA-N
MW378.51 g/mol
LogP3.38
Rot. Bonds8

About 2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid

2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid (PubChem CID 69474466) has the molecular formula C21H34N2O4 and a molecular weight of 378.51 g/mol. Its IUPAC name is 2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid
PubChem CID69474466
Molecular FormulaC21H34N2O4
Molecular Weight378.51 g/mol
Exact Mass378.25
IUPAC Name2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid
SMILESCCc1c(C)cc(C(=O)NC(CC(C)(C)C)C(=O)O)c(=O)n1CCC(C)C
InChIInChI=1S/C21H34N2O4/c1-8-17-14(4)11-15(19(25)23(17)10-9-13(2)3)18(24)22-16(20(26)27)12-21(5,6)7/h11,13,16H,8-10,12H2,1-7H3,(H,22,24)(H,26,27)
InChIKeySPZPGCYDYJCHFX-UHFFFAOYSA-N
XLogP3.38
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.51
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid?
The IUPAC name of 2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid (CID 69474466) is 2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid.
What is the SMILES notation for 2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid?
The canonical SMILES for 2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid is CCc1c(C)cc(C(=O)NC(CC(C)(C)C)C(=O)O)c(=O)n1CCC(C)C.
What is the InChIKey of 2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid?
The InChIKey is SPZPGCYDYJCHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O4/c1-8-17-14(4)11-15(19(25)23(17)10-9-13(2)3)18(24)22-16(20(26)27)12-21(5,6)7/h11,13,16H,8-10,12H2,1-7H3,(H,22,24)(H,26,27).
What are the key properties of 2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid?
2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid has a molecular weight of 378.51 g/mol, XLogP of 3.38, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid is sourced from PubChem (CID 69474466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).