2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid

C23H22N2O4 — CID 66853821

IUPAC2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid
SMILESCC(C(=O)O)n1c(-c2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O
InChIInChI=1S/C23H22N2O4/c1-16(23(28)29)25-20(18-10-6-3-7-11-18)14-13-19(22(25)27)24-21(26)15-12-17-8-4-2-5-9-17/h2-11,13-14,16H,12,15H2,1H3,(H,24,26)(H,28,29)
InChIKeyQYPLHBLWEFYUDY-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.73
Rot. Bonds7

About 2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid

2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid (PubChem CID 66853821) has the molecular formula C23H22N2O4 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid.

Molecular Properties

Compound Name2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid
PubChem CID66853821
Molecular FormulaC23H22N2O4
Molecular Weight390.44 g/mol
Exact Mass390.16
IUPAC Name2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid
SMILESCC(C(=O)O)n1c(-c2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O
InChIInChI=1S/C23H22N2O4/c1-16(23(28)29)25-20(18-10-6-3-7-11-18)14-13-19(22(25)27)24-21(26)15-12-17-8-4-2-5-9-17/h2-11,13-14,16H,12,15H2,1H3,(H,24,26)(H,28,29)
InChIKeyQYPLHBLWEFYUDY-UHFFFAOYSA-N
XLogP3.73
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-oxo-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid
CID 18469031
N-(6-benzyl-2-oxo-1-propan-2-yl-3-pyridinyl)-3-phenylpropanamide
CID 57296806
N-(2-bromo-4-methylphenyl)-3-phenylpropanamide
CID 730069
3-phenyl-N-[5-(3-phenylpropanoylamino)naphthalen-1-yl]propanamide
CID 1010239
3-phenyl-N-(4-propan-2-ylphenyl)propanamide
CID 819687
N-(4-fluoro-2-methylphenyl)-3-phenylpropanamide
CID 7751880
N-[2-methyl-3-(propanoylamino)phenyl]-3-phenylpropanamide
CID 38300101
N-(1,5-dimethylpyrazol-4-yl)-3-phenylpropanamide
CID 19399602
(3S)-3-[acetyl-[2-oxo-6-(2-phenylethyl)-3-(3-phenylpropanoylamino)-1-pyridinyl]amino]-4-oxobutanoic acid
CID 91425526
2-methyl-N-[4-methyl-3-(3-phenylpropanoylamino)phenyl]propanamide
CID 46485889
3,4-bis(3-phenylpropanoylamino)benzoate
CID 6980736
3-hydroxy-4-(3-phenylpropanoylamino)benzoic acid
CID 60826360

Frequently Asked Questions

What is the IUPAC name of 2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid?
The IUPAC name of 2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid (CID 66853821) is 2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid.
What is the SMILES notation for 2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid?
The canonical SMILES for 2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid is CC(C(=O)O)n1c(-c2ccccc2)ccc(NC(=O)CCc2ccccc2)c1=O.
What is the InChIKey of 2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid?
The InChIKey is QYPLHBLWEFYUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4/c1-16(23(28)29)25-20(18-10-6-3-7-11-18)14-13-19(22(25)27)24-21(26)15-12-17-8-4-2-5-9-17/h2-11,13-14,16H,12,15H2,1H3,(H,24,26)(H,28,29).
What are the key properties of 2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid?
2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid has a molecular weight of 390.44 g/mol, XLogP of 3.73, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-oxo-6-phenyl-3-(3-phenylpropanoylamino)-1-pyridinyl]propanoic acid is sourced from PubChem (CID 66853821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).