5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid

C14H20N2O4 — CID 65492676

IUPAC5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(=O)[nH]c1)CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-9(2)5-10(6-13(18)19)7-16-14(20)11-3-4-12(17)15-8-11/h3-4,8-10H,5-7H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)
InChIKeyGGWCJPKGWGPTDG-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.24
Rot. Bonds7

About 5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid

5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid (PubChem CID 65492676) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid.

Molecular Properties

Compound Name5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid
PubChem CID65492676
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid
SMILESCC(C)CC(CNC(=O)c1ccc(=O)[nH]c1)CC(=O)O
InChIInChI=1S/C14H20N2O4/c1-9(2)5-10(6-13(18)19)7-16-14(20)11-3-4-12(17)15-8-11/h3-4,8-10H,5-7H2,1-2H3,(H,15,17)(H,16,20)(H,18,19)
InChIKeyGGWCJPKGWGPTDG-UHFFFAOYSA-N
XLogP1.24
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 ≤ 51.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[(6-Oxo-1,6-dihydropyridin-3-yl)carbonyl]piperidine-4-carboxylic acid
CID 3605122
8-[(6-oxo-1H-pyridine-3-carbonyl)amino]octanoic acid
CID 20132010
6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 24697002
7-[(6-oxo-1H-pyridine-3-carbonyl)amino]heptanoic acid
CID 24710339
6-[3-(5-Methyl-2-oxo-1-pyridinyl)propanoylamino]hexanoic acid
CID 39150894
6-[[2,2-Dimethyl-3-(5-methyl-2-oxo-1-pyridinyl)propanoyl]amino]hexanoic acid
CID 39150940
6-[4-(4-Methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid
CID 39150953
6-[4-(5-Methyl-2-oxo-1-pyridinyl)butanoylamino]hexanoic acid
CID 39150956
6-[5-(5-Methyl-2-oxo-1-pyridinyl)pentanoylamino]hexanoic acid
CID 39150979
6-[(1-Methyl-2-oxopyridine-4-carbonyl)amino]hexanoic acid
CID 43352952
2-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoic acid
CID 43388149
methyl 6-[(6-oxo-1H-pyridine-3-carbonyl)amino]hexanoate
CID 43404632

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid?
The IUPAC name of 5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid (CID 65492676) is 5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid.
What is the SMILES notation for 5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid?
The canonical SMILES for 5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid is CC(C)CC(CNC(=O)c1ccc(=O)[nH]c1)CC(=O)O.
What is the InChIKey of 5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid?
The InChIKey is GGWCJPKGWGPTDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9(2)5-10(6-13(18)19)7-16-14(20)11-3-4-12(17)15-8-11/h3-4,8-10H,5-7H2,1-2H3,(H,15,17)(H,16,20)(H,18,19).
What are the key properties of 5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid?
5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid has a molecular weight of 280.32 g/mol, XLogP of 1.24, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[(6-oxo-1H-pyridine-3-carbonyl)amino]methyl]hexanoic acid is sourced from PubChem (CID 65492676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).