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

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

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Launch Full Analysis

Related Compounds

2-[(1-butyl-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl)amino]-2,3-dimethylbutanoic acid
CID 150762523
(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 69474590
1-butyl-N-(2-chloro-1-phenylethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carboxamide
CID 23587830
(2S)-2-[[1-[(1-ethylpyrrolidin-2-yl)methyl]-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-4,4-dimethylpentanoic acid
CID 69474638
methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 69473584
(2S)-2-[[1-(cyclohexylmethyl)-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]pentanedioic acid
CID 69474872
6-ethyl-1,5-dimethyl-N-[[(3S)-1-(2-methylpropyl)pyrrolidin-3-yl]methyl]-2-oxopyridine-3-carboxamide
CID 95228503
1-butyl-5-ethyl-2-oxo-N-propan-2-yl-6-propylpyridine-3-carboxamide
CID 59718789
(2R)-2-[(1,3-dimethylpyrazole-4-carbonyl)amino]-4-methylpentanoic acid
CID 96582780
2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid
CID 84558327
1,3-dihydroxypropan-2-yl 2-[[1-(cyclohexylmethyl)-6-ethyl-5-methyl-2-oxopyridine-3-carbonyl]amino]-3-methylbutanoate
CID 67520455
(2R)-2-[(4-chloro-2-methylbenzoyl)amino]pentanoic acid
CID 114027907

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).