4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid

C14H13N3O4 — CID 43355938

IUPAC4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)Cn1cccnc1=O
InChIInChI=1S/C14H13N3O4/c1-9-3-4-10(13(19)20)7-11(9)16-12(18)8-17-6-2-5-15-14(17)21/h2-7H,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyNCQZPXBMKKKSIA-UHFFFAOYSA-N
MW287.28 g/mol
LogP0.89
Rot. Bonds4

About 4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid

4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid (PubChem CID 43355938) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid.

Molecular Properties

Compound Name4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
PubChem CID43355938
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
SMILESCc1ccc(C(=O)O)cc1NC(=O)Cn1cccnc1=O
InChIInChI=1S/C14H13N3O4/c1-9-3-4-10(13(19)20)7-11(9)16-12(18)8-17-6-2-5-15-14(17)21/h2-7H,8H2,1H3,(H,16,18)(H,19,20)
InChIKeyNCQZPXBMKKKSIA-UHFFFAOYSA-N
XLogP0.89
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43358338
4-methyl-3-(propanoylamino)benzoic acid
CID 888092
N-[2-methyl-4-(2-methylpiperidine-1-carbonyl)phenyl]-2-(2-oxopyrimidin-1-yl)acetamide
CID 128950826
N-(5-amino-2-methylphenyl)-4-(2-oxopyrimidin-1-yl)butanamide
CID 16788281
4-methyl-3-[(2-phenoxyacetyl)amino]benzoic acid
CID 18070473
2-(2-oxopyrimidin-1-yl)-N-pyridin-4-ylacetamide
CID 39954106
2-hydroxy-4-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid
CID 43358285
4-methyl-3-[[2-(4-methyl-2-oxo-1,3-thiazol-3-yl)acetyl]amino]benzoic acid
CID 43132376
3-methyl-5-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]-1,2-thiazole-4-carboxylic acid
CID 60869768
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
4-methyl-3-[[2-(2H-triazol-4-ylsulfanyl)acetyl]amino]benzoic acid
CID 71296684
3-[3-(2,4-dioxopyrimidin-1-yl)propanoylamino]-4-methylbenzoic acid
CID 108801568

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid?
The IUPAC name of 4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid (CID 43355938) is 4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid.
What is the SMILES notation for 4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid?
The canonical SMILES for 4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid is Cc1ccc(C(=O)O)cc1NC(=O)Cn1cccnc1=O.
What is the InChIKey of 4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid?
The InChIKey is NCQZPXBMKKKSIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-9-3-4-10(13(19)20)7-11(9)16-12(18)8-17-6-2-5-15-14(17)21/h2-7H,8H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid?
4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid has a molecular weight of 287.28 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]benzoic acid is sourced from PubChem (CID 43355938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).