4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid

C14H20N2O4 — CID 65284491

IUPAC4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
SMILESCC(C)(CCNC(=O)c1ccc[nH]c1=O)CCC(=O)O
InChIInChI=1S/C14H20N2O4/c1-14(2,6-5-11(17)18)7-9-16-13(20)10-4-3-8-15-12(10)19/h3-4,8H,5-7,9H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyLLCZBKBRRLOLKR-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.39
Rot. Bonds7

About 4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid

4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid (PubChem CID 65284491) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid.

Molecular Properties

Compound Name4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
PubChem CID65284491
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
SMILESCC(C)(CCNC(=O)c1ccc[nH]c1=O)CCC(=O)O
InChIInChI=1S/C14H20N2O4/c1-14(2,6-5-11(17)18)7-9-16-13(20)10-4-3-8-15-12(10)19/h3-4,8H,5-7,9H2,1-2H3,(H,15,19)(H,16,20)(H,17,18)
InChIKeyLLCZBKBRRLOLKR-UHFFFAOYSA-N
XLogP1.39
TPSA99.26 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid with MolForge

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Related Compounds

N-(2-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65110004
6-[(3-chloro-2-fluorobenzoyl)amino]-4,4-dimethylhexanoic acid
CID 81266022
N-(5-hydroxy-2,2-dimethylpentyl)-2-oxo-1H-pyridine-3-carboxamide
CID 103900087
N-[3-(methylamino)propyl]-2-oxo-1H-pyridine-3-carboxamide
CID 43600703
N-(2-hydroxy-2-phenylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 111335230
methyl 6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
CID 31842152
4,4-dimethyl-6-(thiophene-2-carbonylamino)hexanoic acid
CID 65284024
N-[2-[di(propan-2-yl)amino]ethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 34818779
6-[(1,5-dimethylpyrazole-4-carbonyl)amino]-4,4-dimethylhexanoic acid
CID 65284540
6-[(4-iodobenzoyl)amino]-4,4-dimethylhexanoic acid
CID 65284317
2-oxo-N-[2-[(S)-phenylsulfinyl]ethyl]-1H-pyridine-3-carboxamide
CID 95619666
N-(3-hydroxy-2-methylpropyl)-2-oxo-1H-pyridine-3-carboxamide
CID 65037135

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The IUPAC name of 4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid (CID 65284491) is 4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid.
What is the SMILES notation for 4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The canonical SMILES for 4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid is CC(C)(CCNC(=O)c1ccc[nH]c1=O)CCC(=O)O.
What is the InChIKey of 4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
The InChIKey is LLCZBKBRRLOLKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-14(2,6-5-11(17)18)7-9-16-13(20)10-4-3-8-15-12(10)19/h3-4,8H,5-7,9H2,1-2H3,(H,15,19)(H,16,20)(H,17,18).
What are the key properties of 4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid?
4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.39, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-6-[(2-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid is sourced from PubChem (CID 65284491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).