4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid

C16H16N2O3 — CID 63650622

IUPAC4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(CCC(=O)Nc2ccnc(C(=O)O)c2)cc1
InChIInChI=1S/C16H16N2O3/c1-11-2-4-12(5-3-11)6-7-15(19)18-13-8-9-17-14(10-13)16(20)21/h2-5,8-10H,6-7H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyQBGPMMQZFHVVRJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.66
Rot. Bonds5

About 4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid

4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid (PubChem CID 63650622) has the molecular formula C16H16N2O3 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
PubChem CID63650622
Molecular FormulaC16H16N2O3
Molecular Weight284.32 g/mol
Exact Mass284.12
IUPAC Name4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
SMILESCc1ccc(CCC(=O)Nc2ccnc(C(=O)O)c2)cc1
InChIInChI=1S/C16H16N2O3/c1-11-2-4-12(5-3-11)6-7-15(19)18-13-8-9-17-14(10-13)16(20)21/h2-5,8-10H,6-7H2,1H3,(H,20,21)(H,17,18,19)
InChIKeyQBGPMMQZFHVVRJ-UHFFFAOYSA-N
XLogP2.66
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[3-(4-methylphenyl)propanoylamino]pyridine-2-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

4-(3-phenylpropanoylamino)pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 167945350
4-[3-(2-methylphenyl)propanoylamino]pyridine-2-carboxylic acid
CID 63651301
N,3-bis(4-methylphenyl)propanamide
CID 19220434
3-(4-methylphenyl)-N-phenylpropanamide
CID 2995602
4-(3-propoxypropanoylamino)pyridine-2-carboxylic acid
CID 63651324
N-(4-methylphenyl)-3-phenylpropanamide
CID 778861
2-(4-methylphenyl)-N-(2-methyl-4-pyridinyl)acetamide
CID 110756851
N-(3-acetylphenyl)-3-(4-methylphenyl)propanamide
CID 17360048
4-[(3,5-dimethylbenzoyl)amino]pyridine-2-carboxylic acid
CID 63651310
N-[3-(chloromethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114293248
N-(3-fluoro-4-hydroxyphenyl)-3-(4-methylphenyl)propanamide
CID 64780504
N-[3-(bromomethyl)phenyl]-3-(4-methylphenyl)propanamide
CID 114307276

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid (CID 63650622) is 4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid is Cc1ccc(CCC(=O)Nc2ccnc(C(=O)O)c2)cc1.
What is the InChIKey of 4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid?
The InChIKey is QBGPMMQZFHVVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3/c1-11-2-4-12(5-3-11)6-7-15(19)18-13-8-9-17-14(10-13)16(20)21/h2-5,8-10H,6-7H2,1H3,(H,20,21)(H,17,18,19).
What are the key properties of 4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid?
4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid has a molecular weight of 284.32 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methylphenyl)propanoylamino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63650622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).