methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate

C15H14N2O4 — CID 110692912

IUPACmethyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccn(C)c2=O)cc1
InChIInChI=1S/C15H14N2O4/c1-17-9-3-4-12(14(17)19)13(18)16-11-7-5-10(6-8-11)15(20)21-2/h3-9H,1-2H3,(H,16,18)
InChIKeyPHGNIEVGMVDNQL-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.42
Rot. Bonds3

About methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate

methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate (PubChem CID 110692912) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
PubChem CID110692912
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Namemethyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cccn(C)c2=O)cc1
InChIInChI=1S/C15H14N2O4/c1-17-9-3-4-12(14(17)19)13(18)16-11-7-5-10(6-8-11)15(20)21-2/h3-9H,1-2H3,(H,16,18)
InChIKeyPHGNIEVGMVDNQL-UHFFFAOYSA-N
XLogP1.42
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate
CID 110692910
methyl 4-[(2-methyl-1-oxoisoquinoline-4-carbonyl)amino]benzoate
CID 52905404
1-methyl-2-oxo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 110692939
methyl 4-[[1-[(3-fluorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 7597576
methyl 4-[[1-[(3-fluorophenyl)methoxy]-2-oxopyridine-3-carbonyl]amino]benzoate
CID 110382411
methyl 4-[(2-hydroxy-3-methylbenzoyl)amino]benzoate
CID 43422488
methyl 4-[(2-pyrazol-1-ylbenzoyl)amino]benzoate
CID 86991803
methyl 4-[(2-iodo-3-methylbenzoyl)amino]benzoate
CID 38886727
N-(2,6-difluorophenyl)-1-methyl-2-oxopyridine-3-carboxamide
CID 110692966
3-acetyl-1-methylpyridin-2-one
CID 82527252
methyl 4-[(1-ethylpyrrole-2-carbonyl)amino]benzoate
CID 43638981
methyl 4-[(1-oxo-2-propan-2-ylisoquinoline-4-carbonyl)amino]benzoate
CID 71946796

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate (CID 110692912) is methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)c2cccn(C)c2=O)cc1.
What is the InChIKey of methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate?
The InChIKey is PHGNIEVGMVDNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c1-17-9-3-4-12(14(17)19)13(18)16-11-7-5-10(6-8-11)15(20)21-2/h3-9H,1-2H3,(H,16,18).
What are the key properties of methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate?
methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate has a molecular weight of 286.29 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(1-methyl-2-oxopyridine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110692912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).