methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate

C10H12N2O4 — CID 115584292

IUPACmethyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(C)[nH]c1=O
InChIInChI=1S/C10H12N2O4/c1-6-3-4-7(10(15)12-6)9(14)11-5-8(13)16-2/h3-4H,5H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyPIXJLJJSDCMGEI-UHFFFAOYSA-N
MW224.22 g/mol
LogP-0.41
Rot. Bonds3

About methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate

methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate (PubChem CID 115584292) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
PubChem CID115584292
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Namemethyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)c1ccc(C)[nH]c1=O
InChIInChI=1S/C10H12N2O4/c1-6-3-4-7(10(15)12-6)9(14)11-5-8(13)16-2/h3-4H,5H2,1-2H3,(H,11,14)(H,12,15)
InChIKeyPIXJLJJSDCMGEI-UHFFFAOYSA-N
XLogP-0.41
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate
CID 115589394
2-[[2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetyl]amino]acetic acid
CID 113451591
N-[2-(2-hydroxyethoxy)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115586329
N-(6-hydroxyhexyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113351778
(2R)-5-methoxy-2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]-5-oxopentanoic acid
CID 107820927
2-[1-[[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 104772745
N-[(2R)-2-hydroxy-2-(4-methylphenyl)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 95977087
N-[[4-(2-aminoethyl)phenyl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 115736977
N-[2-(2-hydroxypropylamino)ethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 113451622
4-methyl-5-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]pentanoic acid
CID 104772766
methyl 2-[[2-[2-[(2-methoxy-2-oxoethyl)carbamoyl]phenyl]benzoyl]amino]acetate
CID 23855602
methyl 2-[(2,3,4-trifluorobenzoyl)amino]acetate
CID 531421

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate (CID 115584292) is methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate is COC(=O)CNC(=O)c1ccc(C)[nH]c1=O.
What is the InChIKey of methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
The InChIKey is PIXJLJJSDCMGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-6-3-4-7(10(15)12-6)9(14)11-5-8(13)16-2/h3-4H,5H2,1-2H3,(H,11,14)(H,12,15).
What are the key properties of methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate?
methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate has a molecular weight of 224.22 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]acetate is sourced from PubChem (CID 115584292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).