2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid

C22H20N2O4 — CID 169214363

IUPAC2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(=O)n(CC(=O)O)c3)ccc2C)cc1
InChIInChI=1S/C22H20N2O4/c1-14-3-6-16(7-4-14)19-11-17(8-5-15(19)2)22(28)23-18-9-10-20(25)24(12-18)13-21(26)27/h3-12H,13H2,1-2H3,(H,23,28)(H,26,27)
InChIKeyDEGWZADUKLKTIN-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.47
Rot. Bonds5

About 2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid

2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid (PubChem CID 169214363) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is 2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid
PubChem CID169214363
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC Name2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid
SMILESCc1ccc(-c2cc(C(=O)Nc3ccc(=O)n(CC(=O)O)c3)ccc2C)cc1
InChIInChI=1S/C22H20N2O4/c1-14-3-6-16(7-4-14)19-11-17(8-5-15(19)2)22(28)23-18-9-10-20(25)24(12-18)13-21(26)27/h3-12H,13H2,1-2H3,(H,23,28)(H,26,27)
InChIKeyDEGWZADUKLKTIN-UHFFFAOYSA-N
XLogP3.47
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82120698
2-[5-[(4-bromo-3-methylphenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid
CID 112707571
2-[5-(4-methylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 82117838
2-[5-[(4-fluorophenyl)carbamoyl]-2-oxo-1-pyridinyl]acetic acid
CID 110082545
2-[5-[2-methyl-5-(2-methylpropyl)phenyl]-2-oxo-1-pyridinyl]acetic acid
CID 176809254
2-[5-(4-hydroxy-2,5-dimethylphenyl)-2-oxo-1-pyridinyl]acetic acid
CID 169214219
4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzamide
CID 47341998
2-[5-(2,5-dimethylphenyl)-4-methyl-2-oxo-1-pyridinyl]acetic acid
CID 176809246
3,4-dimethyl-N-(4-methylphenyl)benzamide
CID 3950718
N-(3,4-dimethylphenyl)-1-[(2,5-dimethylphenyl)methyl]-6-oxopyridine-3-carboxamide
CID 8671500
2-[2-oxo-5-[[3-(8-undecylisoquinolin-4-yl)benzoyl]amino]-1-pyridinyl]acetic acid
CID 169213685
2-[2-[(4-methylphenyl)carbamoyl]pyrrol-1-yl]acetic acid
CID 79325224

Frequently Asked Questions

What is the IUPAC name of 2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid?
The IUPAC name of 2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid (CID 169214363) is 2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid.
What is the SMILES notation for 2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid?
The canonical SMILES for 2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid is Cc1ccc(-c2cc(C(=O)Nc3ccc(=O)n(CC(=O)O)c3)ccc2C)cc1.
What is the InChIKey of 2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid?
The InChIKey is DEGWZADUKLKTIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-14-3-6-16(7-4-14)19-11-17(8-5-15(19)2)22(28)23-18-9-10-20(25)24(12-18)13-21(26)27/h3-12H,13H2,1-2H3,(H,23,28)(H,26,27).
What are the key properties of 2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid?
2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid has a molecular weight of 376.41 g/mol, XLogP of 3.47, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[[4-methyl-3-(4-methylphenyl)benzoyl]amino]-2-oxo-1-pyridinyl]acetic acid is sourced from PubChem (CID 169214363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).