4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid

C16H15ClN2O4 — CID 82031259

IUPAC4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid
SMILESO=C(CCn1cc(Cl)ccc1=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15ClN2O4/c17-13-5-6-15(21)19(10-13)8-7-14(20)18-9-11-1-3-12(4-2-11)16(22)23/h1-6,10H,7-9H2,(H,18,20)(H,22,23)
InChIKeySXKMBIBOYDUZCO-UHFFFAOYSA-N
MW334.76 g/mol
LogP1.91
Rot. Bonds6

About 4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid

4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid (PubChem CID 82031259) has the molecular formula C16H15ClN2O4 and a molecular weight of 334.76 g/mol. Its IUPAC name is 4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid.

Molecular Properties

Compound Name4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid
PubChem CID82031259
Molecular FormulaC16H15ClN2O4
Molecular Weight334.76 g/mol
Exact Mass334.07
IUPAC Name4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid
SMILESO=C(CCn1cc(Cl)ccc1=O)NCc1ccc(C(=O)O)cc1
InChIInChI=1S/C16H15ClN2O4/c17-13-5-6-15(21)19(10-13)8-7-14(20)18-9-11-1-3-12(4-2-11)16(22)23/h1-6,10H,7-9H2,(H,18,20)(H,22,23)
InChIKeySXKMBIBOYDUZCO-UHFFFAOYSA-N
XLogP1.91
TPSA88.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.76
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(4-chlorophenyl)methyl]-3-piperidin-1-ylpropanamide
CID 110688285
3-(4-acetylpiperazin-1-yl)-N-[(4-chlorophenyl)methyl]propanamide
CID 109018277
4-[4-(5-chloro-2-oxo-1-pyridinyl)butanoylamino]butanoic acid
CID 82031405
4-[5-(5-chloro-2-oxo-1-pyridinyl)pentanoylamino]butanoic acid
CID 92941117
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 110082547
2-[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]pentanoic acid
CID 82031256
4-[(4-chlorophenyl)methylamino]-4-oxobutanoic acid
CID 879591
4-[[[2-(4-chlorophenoxy)acetyl]amino]methyl]benzoic acid
CID 17171925
(3S,4S)-1-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-4-propan-2-ylpyrrolidine-3-carboxylic acid
CID 72885040
N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441
N-[(4-chlorophenyl)methyl]-3-(4-oxoquinazolin-3-yl)propanamide
CID 1301490
4-[[[5-(ethylamino)-5-oxopentanoyl]amino]methyl]benzoic acid
CID 119165562

Frequently Asked Questions

What is the IUPAC name of 4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid?
The IUPAC name of 4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid (CID 82031259) is 4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid.
What is the SMILES notation for 4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid?
The canonical SMILES for 4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid is O=C(CCn1cc(Cl)ccc1=O)NCc1ccc(C(=O)O)cc1.
What is the InChIKey of 4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid?
The InChIKey is SXKMBIBOYDUZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN2O4/c17-13-5-6-15(21)19(10-13)8-7-14(20)18-9-11-1-3-12(4-2-11)16(22)23/h1-6,10H,7-9H2,(H,18,20)(H,22,23).
What are the key properties of 4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid?
4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid has a molecular weight of 334.76 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(5-chloro-2-oxo-1-pyridinyl)propanoylamino]methyl]benzoic acid is sourced from PubChem (CID 82031259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).