(3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid

C16H24N2O4 — CID 125163140

IUPAC(3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid
SMILESCCCC[C@@H](CC(=O)O)NC(=O)c1cc(C)c(C)n(C)c1=O
InChIInChI=1S/C16H24N2O4/c1-5-6-7-12(9-14(19)20)17-15(21)13-8-10(2)11(3)18(4)16(13)22/h8,12H,5-7,9H2,1-4H3,(H,17,21)(H,19,20)/t12-/m0/s1
InChIKeySVKBQMCZUBMFAT-LBPRGKRZSA-N
MW308.38 g/mol
LogP1.77
Rot. Bonds7

About (3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid

(3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid (PubChem CID 125163140) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is (3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid.

Molecular Properties

Compound Name(3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid
PubChem CID125163140
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name(3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid
SMILESCCCC[C@@H](CC(=O)O)NC(=O)c1cc(C)c(C)n(C)c1=O
InChIInChI=1S/C16H24N2O4/c1-5-6-7-12(9-14(19)20)17-15(21)13-8-10(2)11(3)18(4)16(13)22/h8,12H,5-7,9H2,1-4H3,(H,17,21)(H,19,20)/t12-/m0/s1
InChIKeySVKBQMCZUBMFAT-LBPRGKRZSA-N
XLogP1.77
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid with MolForge

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Related Compounds

(3R)-3-[(2,6-dimethylpyridine-4-carbonyl)amino]heptanoic acid
CID 126425811
3-[(1,6-dimethyl-4-oxopyridine-3-carbonyl)amino]hexanoic acid
CID 122563391
(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 69474590
(3R)-3-[(2-oxo-6-propan-2-yl-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 126434441
6-ethyl-N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 125490592
N-[(3S)-heptan-3-yl]-5-methyl-2-oxo-6-propyl-1H-pyridine-3-carboxamide
CID 125491426
(3S)-3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid
CID 126427214
3-[(5-methylpyrazolo[1,5-a]pyridine-2-carbonyl)amino]heptanoic acid
CID 121496750
5-amino-2,4-dimethyl-N-octan-4-ylbenzamide
CID 106021805
methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 69473584
N-[(1S)-1-(3-amino-1H-1,2,4-triazol-5-yl)ethyl]-1,5,6-trimethyl-2-oxopyridine-3-carboxamide
CID 126441554
5-methyl-2-(methylamino)-N-octan-4-ylbenzamide
CID 106027859

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid?
The IUPAC name of (3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid (CID 125163140) is (3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid.
What is the SMILES notation for (3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid?
The canonical SMILES for (3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid is CCCC[C@@H](CC(=O)O)NC(=O)c1cc(C)c(C)n(C)c1=O.
What is the InChIKey of (3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid?
The InChIKey is SVKBQMCZUBMFAT-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-5-6-7-12(9-14(19)20)17-15(21)13-8-10(2)11(3)18(4)16(13)22/h8,12H,5-7,9H2,1-4H3,(H,17,21)(H,19,20)/t12-/m0/s1.
What are the key properties of (3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid?
(3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid has a molecular weight of 308.38 g/mol, XLogP of 1.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(1,5,6-trimethyl-2-oxopyridine-3-carbonyl)amino]heptanoic acid is sourced from PubChem (CID 125163140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).