3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid

C20H18N2O3 — CID 71767585

IUPAC3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid
SMILESO=C(CCCc1ccc2ccccc2c1)Nc1cnccc1C(=O)O
InChIInChI=1S/C20H18N2O3/c23-19(22-18-13-21-11-10-17(18)20(24)25)7-3-4-14-8-9-15-5-1-2-6-16(15)12-14/h1-2,5-6,8-13H,3-4,7H2,(H,22,23)(H,24,25)
InChIKeyNXHRRUHTFZFIGL-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.89
Rot. Bonds6

About 3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid

3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid (PubChem CID 71767585) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid
PubChem CID71767585
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid
SMILESO=C(CCCc1ccc2ccccc2c1)Nc1cnccc1C(=O)O
InChIInChI=1S/C20H18N2O3/c23-19(22-18-13-21-11-10-17(18)20(24)25)7-3-4-14-8-9-15-5-1-2-6-16(15)12-14/h1-2,5-6,8-13H,3-4,7H2,(H,22,23)(H,24,25)
InChIKeyNXHRRUHTFZFIGL-UHFFFAOYSA-N
XLogP3.89
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-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

3-[(2-naphthalen-2-ylacetyl)amino]pyridine-4-carboxylic acid
CID 71767584
3-(5-naphthalen-2-ylpentanoylamino)thiophene-2-carboxylic acid
CID 24765200
2-[3-(4-naphthalen-2-ylphenyl)propanoylamino]benzoic acid
CID 11552978
N-isoquinolin-6-yl-3-phenylpropanamide
CID 24999503
3-[4-(2-butan-2-ylphenoxy)butanoylamino]pyridine-4-carboxylic acid
CID 155281674
3-[(2-methyl-4-phenylbutanoyl)amino]pyridine-4-carboxylic acid
CID 71767725
10-naphthalen-2-yldecanoic acid
CID 21478009
ethane;5-naphthalen-2-ylpentan-2-one
CID 177221326
3-[3-(4-phenylphenyl)propanoylamino]naphthalene-2-carboxylic acid
CID 146620003
2-naphthalen-2-yl-N-pyridin-4-ylacetamide
CID 25336159
N-(3-hydroxy-2-pyridinyl)-3-naphthalen-2-ylpropanamide
CID 60521388
N-naphthalen-1-yl-2-naphthalen-2-ylacetamide
CID 16849654

Frequently Asked Questions

What is the IUPAC name of 3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid?
The IUPAC name of 3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid (CID 71767585) is 3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid is O=C(CCCc1ccc2ccccc2c1)Nc1cnccc1C(=O)O.
What is the InChIKey of 3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid?
The InChIKey is NXHRRUHTFZFIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-19(22-18-13-21-11-10-17(18)20(24)25)7-3-4-14-8-9-15-5-1-2-6-16(15)12-14/h1-2,5-6,8-13H,3-4,7H2,(H,22,23)(H,24,25).
What are the key properties of 3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid?
3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid has a molecular weight of 334.38 g/mol, XLogP of 3.89, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-naphthalen-2-ylbutanoylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 71767585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).