3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide

C17H16N2O2 — CID 103722595

IUPAC3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
SMILESO=C(NCCn1cccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C17H16N2O2/c20-16-12-14-6-2-1-5-13(14)11-15(16)17(21)18-7-10-19-8-3-4-9-19/h1-6,8-9,11-12,20H,7,10H2,(H,18,21)
InChIKeyGMHKJBAWPJQAJL-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.78
Rot. Bonds4

About 3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide

3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide (PubChem CID 103722595) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
PubChem CID103722595
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide
SMILESO=C(NCCn1cccc1)c1cc2ccccc2cc1O
InChIInChI=1S/C17H16N2O2/c20-16-12-14-6-2-1-5-13(14)11-15(16)17(21)18-7-10-19-8-3-4-9-19/h1-6,8-9,11-12,20H,7,10H2,(H,18,21)
InChIKeyGMHKJBAWPJQAJL-UHFFFAOYSA-N
XLogP2.78
TPSA54.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide 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-hydroxy-N-[6-[(3-hydroxynaphthalene-2-carbonyl)amino]hexyl]naphthalene-2-carboxamide
CID 3119117
2-hydroxy-5-iodo-N-(2-pyrrol-1-ylethyl)benzamide
CID 103725448
2-hydroxy-4-methoxy-N-(2-pyrrol-1-ylethyl)benzamide
CID 103722588
3-hydroxy-N-(2-methylsulfanylethyl)naphthalene-2-carboxamide
CID 60629996
2-bromo-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716239
3-hydroxy-N-[(E)-pent-3-enyl]naphthalene-2-carboxamide
CID 115628024
3-hydroxy-N-(2-pyridin-1-ium-1-ylethyl)naphthalene-2-carboxamide
CID 57112556
3-hydroxy-N-(2-pyrrol-1-ylethyl)pyridine-4-carboxamide
CID 103762370
3-hydroxy-N-(5-methylhexyl)naphthalene-2-carboxamide
CID 115325898
N-(2,2-dimethylpropyl)-3-hydroxynaphthalene-2-carboxamide
CID 61166883
3-hydroxy-N-(3-methylsulfanylbutyl)naphthalene-2-carboxamide
CID 115604498
3-hydroxy-N-[[4-(pyrazol-1-ylmethyl)phenyl]methyl]naphthalene-2-carboxamide
CID 25403898

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide?
The IUPAC name of 3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide (CID 103722595) is 3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide.
What is the SMILES notation for 3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide?
The canonical SMILES for 3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide is O=C(NCCn1cccc1)c1cc2ccccc2cc1O.
What is the InChIKey of 3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide?
The InChIKey is GMHKJBAWPJQAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c20-16-12-14-6-2-1-5-13(14)11-15(16)17(21)18-7-10-19-8-3-4-9-19/h1-6,8-9,11-12,20H,7,10H2,(H,18,21).
What are the key properties of 3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide?
3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide has a molecular weight of 280.33 g/mol, XLogP of 2.78, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-(2-pyrrol-1-ylethyl)naphthalene-2-carboxamide is sourced from PubChem (CID 103722595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).