5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid

C15H15N3O3 — CID 115341445

IUPAC5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid
SMILESNc1ccc(CCC(=O)Nc2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C15H15N3O3/c16-12-4-1-10(2-5-12)3-6-14(19)18-13-7-11(15(20)21)8-17-9-13/h1-2,4-5,7-9H,3,6,16H2,(H,18,19)(H,20,21)
InChIKeyRPLXWLPZWZOXRL-UHFFFAOYSA-N
MW285.30 g/mol
LogP1.93
Rot. Bonds5

About 5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid

5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid (PubChem CID 115341445) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is 5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid
PubChem CID115341445
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC Name5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid
SMILESNc1ccc(CCC(=O)Nc2cncc(C(=O)O)c2)cc1
InChIInChI=1S/C15H15N3O3/c16-12-4-1-10(2-5-12)3-6-14(19)18-13-7-11(15(20)21)8-17-9-13/h1-2,4-5,7-9H,3,6,16H2,(H,18,19)(H,20,21)
InChIKeyRPLXWLPZWZOXRL-UHFFFAOYSA-N
XLogP1.93
TPSA105.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic 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

5-[[2-(3,4-dichlorophenyl)acetyl]amino]pyridine-3-carboxylic acid
CID 63154381
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]benzamide
CID 54795411
N-[4-[3-(4-aminophenyl)propanoylamino]phenyl]butanamide
CID 54795313
3-(4-aminophenyl)-N-[3-(propanoylamino)phenyl]propanamide
CID 54795372
3-[3-(4-aminophenyl)propanoylamino]-N-methyl-N-phenylbenzamide
CID 54795361
5-[(4-amino-3-methylbutanoyl)amino]pyridine-3-carboxylic acid
CID 81079129
4-[3-(4-aminophenyl)propanoylamino]-N-ethylbenzamide
CID 54795405
N-[3-[3-(4-aminophenyl)propanoylamino]phenyl]-4-tert-butylbenzamide
CID 54795397
4-(4-aminophenyl)-N-phenylbutanamide
CID 19353885
5-(but-2-ynoylamino)pyridine-3-carboxylic acid
CID 107986663
5-[[(2S)-2-aminobutanoyl]amino]pyridine-3-carboxylic acid
CID 79022911
3-(4-aminophenyl)-N-[4-(cyanomethyl)phenyl]propanamide
CID 62302853

Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid?
The IUPAC name of 5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid (CID 115341445) is 5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid?
The canonical SMILES for 5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid is Nc1ccc(CCC(=O)Nc2cncc(C(=O)O)c2)cc1.
What is the InChIKey of 5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid?
The InChIKey is RPLXWLPZWZOXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c16-12-4-1-10(2-5-12)3-6-14(19)18-13-7-11(15(20)21)8-17-9-13/h1-2,4-5,7-9H,3,6,16H2,(H,18,19)(H,20,21).
What are the key properties of 5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid?
5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid has a molecular weight of 285.30 g/mol, XLogP of 1.93, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-aminophenyl)propanoylamino]pyridine-3-carboxylic acid is sourced from PubChem (CID 115341445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).