methyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate

C13H18N2O4 — CID 43406045

IUPACmethyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O4/c1-8(2)7-10(13(18)19-3)15-12(17)9-5-4-6-14-11(9)16/h4-6,8,10H,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyIYCFSJFVTRWATG-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.69
Rot. Bonds5

About methyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate

methyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate (PubChem CID 43406045) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is methyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate
PubChem CID43406045
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Namemethyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate
SMILESCOC(=O)C(CC(C)C)NC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C13H18N2O4/c1-8(2)7-10(13(18)19-3)15-12(17)9-5-4-6-14-11(9)16/h4-6,8,10H,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyIYCFSJFVTRWATG-UHFFFAOYSA-N
XLogP0.69
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate (CID 43406045) is methyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate is COC(=O)C(CC(C)C)NC(=O)c1ccc[nH]c1=O.
What is the InChIKey of methyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate?
The InChIKey is IYCFSJFVTRWATG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8(2)7-10(13(18)19-3)15-12(17)9-5-4-6-14-11(9)16/h4-6,8,10H,7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of methyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate?
methyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate has a molecular weight of 266.30 g/mol, XLogP of 0.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[(2-oxo-1H-pyridine-3-carbonyl)amino]pentanoate is sourced from PubChem (CID 43406045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).