2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid

C23H21FN2O4 — CID 67520107

IUPAC2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid
SMILESCc1cc(C(=O)NC(C(=O)O)c2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C23H21FN2O4/c1-14-12-19(21(27)25-20(23(29)30)17-6-4-3-5-7-17)22(28)26(15(14)2)13-16-8-10-18(24)11-9-16/h3-12,20H,13H2,1-2H3,(H,25,27)(H,29,30)
InChIKeyUKQYYCSLTKKUBV-UHFFFAOYSA-N
MW408.43 g/mol
LogP3.21
Rot. Bonds6

About 2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid

2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid (PubChem CID 67520107) has the molecular formula C23H21FN2O4 and a molecular weight of 408.43 g/mol. Its IUPAC name is 2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid
PubChem CID67520107
Molecular FormulaC23H21FN2O4
Molecular Weight408.43 g/mol
Exact Mass408.15
IUPAC Name2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid
SMILESCc1cc(C(=O)NC(C(=O)O)c2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1C
InChIInChI=1S/C23H21FN2O4/c1-14-12-19(21(27)25-20(23(29)30)17-6-4-3-5-7-17)22(28)26(15(14)2)13-16-8-10-18(24)11-9-16/h3-12,20H,13H2,1-2H3,(H,25,27)(H,29,30)
InChIKeyUKQYYCSLTKKUBV-UHFFFAOYSA-N
XLogP3.21
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.43
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid 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 2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid (CID 67520107) is 2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid is Cc1cc(C(=O)NC(C(=O)O)c2ccccc2)c(=O)n(Cc2ccc(F)cc2)c1C.
What is the InChIKey of 2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is UKQYYCSLTKKUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN2O4/c1-14-12-19(21(27)25-20(23(29)30)17-6-4-3-5-7-17)22(28)26(15(14)2)13-16-8-10-18(24)11-9-16/h3-12,20H,13H2,1-2H3,(H,25,27)(H,29,30).
What are the key properties of 2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid?
2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 408.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-fluorophenyl)methyl]-5,6-dimethyl-2-oxopyridine-3-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 67520107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).