N-naphthalen-1-yl-1-pentylindole-3-carboxamide

C24H24N2O — CID 54752945

IUPACN-naphthalen-1-yl-1-pentylindole-3-carboxamide
SMILESCCCCCn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H24N2O/c1-2-3-8-16-26-17-21(20-13-6-7-15-23(20)26)24(27)25-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,9-15,17H,2-3,8,16H2,1H3,(H,25,27)
InChIKeyGWCQNKRMTGVYIZ-UHFFFAOYSA-N
MW356.47 g/mol
LogP6.24
Rot. Bonds6

About N-naphthalen-1-yl-1-pentylindole-3-carboxamide

N-naphthalen-1-yl-1-pentylindole-3-carboxamide (PubChem CID 54752945) has the molecular formula C24H24N2O and a molecular weight of 356.47 g/mol. Its IUPAC name is N-naphthalen-1-yl-1-pentylindole-3-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-1-pentylindole-3-carboxamide
PubChem CID54752945
Molecular FormulaC24H24N2O
Molecular Weight356.47 g/mol
Exact Mass356.19
IUPAC NameN-naphthalen-1-yl-1-pentylindole-3-carboxamide
SMILESCCCCCn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc21
InChIInChI=1S/C24H24N2O/c1-2-3-8-16-26-17-21(20-13-6-7-15-23(20)26)24(27)25-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,9-15,17H,2-3,8,16H2,1H3,(H,25,27)
InChIKeyGWCQNKRMTGVYIZ-UHFFFAOYSA-N
XLogP6.24
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.47
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-naphthalen-1-yl-1-pentylindole-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-yl-1-pentylindole-3-carboxamide?
The IUPAC name of N-naphthalen-1-yl-1-pentylindole-3-carboxamide (CID 54752945) is N-naphthalen-1-yl-1-pentylindole-3-carboxamide.
What is the SMILES notation for N-naphthalen-1-yl-1-pentylindole-3-carboxamide?
The canonical SMILES for N-naphthalen-1-yl-1-pentylindole-3-carboxamide is CCCCCn1cc(C(=O)Nc2cccc3ccccc23)c2ccccc21.
What is the InChIKey of N-naphthalen-1-yl-1-pentylindole-3-carboxamide?
The InChIKey is GWCQNKRMTGVYIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O/c1-2-3-8-16-26-17-21(20-13-6-7-15-23(20)26)24(27)25-22-14-9-11-18-10-4-5-12-19(18)22/h4-7,9-15,17H,2-3,8,16H2,1H3,(H,25,27).
What are the key properties of N-naphthalen-1-yl-1-pentylindole-3-carboxamide?
N-naphthalen-1-yl-1-pentylindole-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-1-pentylindole-3-carboxamide is sourced from PubChem (CID 54752945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).