2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid

C26H27FN2O4 — CID 67519825

IUPAC2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid
SMILESCCCc1c(CC)cc(C(=O)NC(C(=O)O)c2ccccc2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C26H27FN2O4/c1-3-8-22-18(4-2)15-21(25(31)29(22)16-17-11-13-20(27)14-12-17)24(30)28-23(26(32)33)19-9-6-5-7-10-19/h5-7,9-15,23H,3-4,8,16H2,1-2H3,(H,28,30)(H,32,33)
InChIKeyWKAYRBPMVJUVCN-UHFFFAOYSA-N
MW450.51 g/mol
LogP4.11
Rot. Bonds9

About 2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid

2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid (PubChem CID 67519825) has the molecular formula C26H27FN2O4 and a molecular weight of 450.51 g/mol. Its IUPAC name is 2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid.

Molecular Properties

Compound Name2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid
PubChem CID67519825
Molecular FormulaC26H27FN2O4
Molecular Weight450.51 g/mol
Exact Mass450.20
IUPAC Name2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid
SMILESCCCc1c(CC)cc(C(=O)NC(C(=O)O)c2ccccc2)c(=O)n1Cc1ccc(F)cc1
InChIInChI=1S/C26H27FN2O4/c1-3-8-22-18(4-2)15-21(25(31)29(22)16-17-11-13-20(27)14-12-17)24(30)28-23(26(32)33)19-9-6-5-7-10-19/h5-7,9-15,23H,3-4,8,16H2,1-2H3,(H,28,30)(H,32,33)
InChIKeyWKAYRBPMVJUVCN-UHFFFAOYSA-N
XLogP4.11
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.51
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid?
The IUPAC name of 2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid (CID 67519825) is 2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid.
What is the SMILES notation for 2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid?
The canonical SMILES for 2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid is CCCc1c(CC)cc(C(=O)NC(C(=O)O)c2ccccc2)c(=O)n1Cc1ccc(F)cc1.
What is the InChIKey of 2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid?
The InChIKey is WKAYRBPMVJUVCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN2O4/c1-3-8-22-18(4-2)15-21(25(31)29(22)16-17-11-13-20(27)14-12-17)24(30)28-23(26(32)33)19-9-6-5-7-10-19/h5-7,9-15,23H,3-4,8,16H2,1-2H3,(H,28,30)(H,32,33).
What are the key properties of 2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid?
2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid has a molecular weight of 450.51 g/mol, XLogP of 4.11, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-ethyl-1-[(4-fluorophenyl)methyl]-2-oxo-6-propylpyridine-3-carbonyl]amino]-2-phenylacetic acid is sourced from PubChem (CID 67519825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).