3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid

C19H15NO3 — CID 140978211

IUPAC3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid
SMILESO=C(O)c1cccc(C2C=CN=C(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C19H15NO3/c21-18-16(14-7-4-8-15(12-14)19(22)23)9-10-20-17(18)11-13-5-2-1-3-6-13/h1-10,12,16H,11H2,(H,22,23)
InChIKeyPKTJALXBCFUNNB-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.25
Rot. Bonds4

About 3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid

3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid (PubChem CID 140978211) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid.

Molecular Properties

Compound Name3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid
PubChem CID140978211
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid
SMILESO=C(O)c1cccc(C2C=CN=C(Cc3ccccc3)C2=O)c1
InChIInChI=1S/C19H15NO3/c21-18-16(14-7-4-8-15(12-14)19(22)23)9-10-20-17(18)11-13-5-2-1-3-6-13/h1-10,12,16H,11H2,(H,22,23)
InChIKeyPKTJALXBCFUNNB-UHFFFAOYSA-N
XLogP3.25
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzyl-4-[3-(morpholine-4-carbonyl)phenyl]-4H-pyridin-3-one
CID 67692932
2-benzyl-4-pyridin-2-yl-4H-pyridin-3-one
CID 140978203
3-(benzamidomethyl)benzoic acid;ethane
CID 90875099
3-(2-hydroxycyclopropyl)benzoic acid
CID 115015082
3-[(4-chlorophenyl)methyl]benzoic acid
CID 116927110
3-[(2S)-5-amino-2-deuterio-4-[dideuterio(phenyl)methyl]sulfonyloxy-3-oxofuran-2-yl]benzoic acid
CID 155059132
3-[[2-(benzylamino)-2-oxoethyl]sulfanylmethyl]benzoic acid
CID 94804307
3-[(4-phenylpiperidin-1-yl)methyl]benzoic acid
CID 122028587
3-[(2-aminophenyl)sulfanylmethyl]benzoic acid
CID 61317411
3-[[[2-(methylamino)acetyl]amino]methyl]benzoic acid
CID 61162466
benzene-1,3-dicarboxylic acid;phosphane
CID 87088729
benzene-1,3-dicarboxylic acid;rhodium
CID 158643535

Frequently Asked Questions

What is the IUPAC name of 3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid?
The IUPAC name of 3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid (CID 140978211) is 3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid.
What is the SMILES notation for 3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid?
The canonical SMILES for 3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid is O=C(O)c1cccc(C2C=CN=C(Cc3ccccc3)C2=O)c1.
What is the InChIKey of 3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid?
The InChIKey is PKTJALXBCFUNNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-18-16(14-7-4-8-15(12-14)19(22)23)9-10-20-17(18)11-13-5-2-1-3-6-13/h1-10,12,16H,11H2,(H,22,23).
What are the key properties of 3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid?
3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid has a molecular weight of 305.33 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-benzyl-3-oxo-4H-pyridin-4-yl)benzoic acid is sourced from PubChem (CID 140978211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).