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

C18H25F3N2O4 — CID 69474490

IUPAC3-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid
SMILESCCc1c(C)cc(C(=O)NC(CC(=O)O)C(F)(F)F)c(=O)n1CCC(C)C
InChIInChI=1S/C18H25F3N2O4/c1-5-13-11(4)8-12(17(27)23(13)7-6-10(2)3)16(26)22-14(9-15(24)25)18(19,20)21/h8,10,14H,5-7,9H2,1-4H3,(H,22,26)(H,24,25)
InChIKeyDPIHCBFUYOQHHJ-UHFFFAOYSA-N
MW390.40 g/mol
LogP2.90
Rot. Bonds8

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

3-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid (PubChem CID 69474490) has the molecular formula C18H25F3N2O4 and a molecular weight of 390.40 g/mol. Its IUPAC name is 3-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid.

Molecular Properties

Compound Name3-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid
PubChem CID69474490
Molecular FormulaC18H25F3N2O4
Molecular Weight390.40 g/mol
Exact Mass390.18
IUPAC Name3-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid
SMILESCCc1c(C)cc(C(=O)NC(CC(=O)O)C(F)(F)F)c(=O)n1CCC(C)C
InChIInChI=1S/C18H25F3N2O4/c1-5-13-11(4)8-12(17(27)23(13)7-6-10(2)3)16(26)22-14(9-15(24)25)18(19,20)21/h8,10,14H,5-7,9H2,1-4H3,(H,22,26)(H,24,25)
InChIKeyDPIHCBFUYOQHHJ-UHFFFAOYSA-N
XLogP2.90
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.40
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Launch Full Analysis

Related Compounds

6-ethyl-5-methyl-2-oxo-N-propan-2-yl-1-(4,4,4-trifluorobutyl)pyridine-3-carboxamide
CID 59718858
3-[[1-(Cyclohexylmethyl)-2-oxo-5,6,7,8,9,10-hexahydrocycloocta[b]pyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid
CID 67519840
(2S)-2-[[5,6-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4-fluoro-3-methylbutanoic acid
CID 68167501
3-[(1-Butyl-5-ethyl-2-oxo-6-propylpyridine-3-carbonyl)amino]-4,4,4-trifluorobutanoic acid
CID 69475812
3-[[5,6-Diethyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid
CID 89503093
3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 43360814
2-[[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]methyl]butanoic acid
CID 65219278
2-methyl-4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 80537429
3-methyl-4-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 81063918
2-methyl-3-[[2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carbonyl]amino]butanoic acid
CID 104470718
(3S,4S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 120949238
(3S,4S)-1-(4,6-dimethyl-2-oxo-1H-pyridine-3-carbonyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120949239

Frequently Asked Questions

What is the IUPAC name of 3-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid?
The IUPAC name of 3-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid (CID 69474490) is 3-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid.
What is the SMILES notation for 3-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid?
The canonical SMILES for 3-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid is CCc1c(C)cc(C(=O)NC(CC(=O)O)C(F)(F)F)c(=O)n1CCC(C)C.
What is the InChIKey of 3-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid?
The InChIKey is DPIHCBFUYOQHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25F3N2O4/c1-5-13-11(4)8-12(17(27)23(13)7-6-10(2)3)16(26)22-14(9-15(24)25)18(19,20)21/h8,10,14H,5-7,9H2,1-4H3,(H,22,26)(H,24,25).
What are the key properties of 3-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid?
3-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid has a molecular weight of 390.40 g/mol, XLogP of 2.90, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-ethyl-5-methyl-1-(3-methylbutyl)-2-oxopyridine-3-carbonyl]amino]-4,4,4-trifluorobutanoic acid is sourced from PubChem (CID 69474490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).