N-cyclohexylpyrene-1-carboxamide

C23H21NO — CID 15111774

IUPACN-cyclohexylpyrene-1-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C23H21NO/c25-23(24-18-7-2-1-3-8-18)20-14-12-17-10-9-15-5-4-6-16-11-13-19(20)22(17)21(15)16/h4-6,9-14,18H,1-3,7-8H2,(H,24,25)
InChIKeyFUQMFRJRICXNEA-UHFFFAOYSA-N
MW327.43 g/mol
LogP5.65
Rot. Bonds2

About N-cyclohexylpyrene-1-carboxamide

N-cyclohexylpyrene-1-carboxamide (PubChem CID 15111774) has the molecular formula C23H21NO and a molecular weight of 327.43 g/mol. Its IUPAC name is N-cyclohexylpyrene-1-carboxamide.

Molecular Properties

Compound NameN-cyclohexylpyrene-1-carboxamide
PubChem CID15111774
Molecular FormulaC23H21NO
Molecular Weight327.43 g/mol
Exact Mass327.16
IUPAC NameN-cyclohexylpyrene-1-carboxamide
SMILESO=C(NC1CCCCC1)c1ccc2ccc3cccc4ccc1c2c34
InChIInChI=1S/C23H21NO/c25-23(24-18-7-2-1-3-8-18)20-14-12-17-10-9-15-5-4-6-16-11-13-19(20)22(17)21(15)16/h4-6,9-14,18H,1-3,7-8H2,(H,24,25)
InChIKeyFUQMFRJRICXNEA-UHFFFAOYSA-N
XLogP5.65
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.43
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze N-cyclohexylpyrene-1-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

N-cyclohexyl-4-hydroxynaphthalene-1-carboxamide
CID 699930
N-cyclohexyl-2-methylquinoline-5-carboxamide
CID 143116109
N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
N-cyclooctyl-2-(naphthalen-1-ylamino)benzamide
CID 17385247
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
N-cyclopentyl-3-hydroxy-2-methylbenzamide
CID 82786265
2-N-cycloheptyl-6-N-cyclopropylpyridine-2,6-dicarboxamide
CID 109093881
N-cycloheptyl-2-fluoro-3-methylbenzamide
CID 80719060
N-cyclohexyl-N-(cyclohexylcarbamoyl)-4-pyren-1-ylbutanamide
CID 139087661
2-[3-(cyclohexylcarbamoyl)-2-methylphenyl]acetic acid
CID 121005204
2-chloro-N-cyclopentylbenzamide
CID 669043
N-cyclohexyl-6-naphthalen-2-yl-2-oxo-1H-pyridine-3-carboxamide
CID 66497312

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylpyrene-1-carboxamide?
The IUPAC name of N-cyclohexylpyrene-1-carboxamide (CID 15111774) is N-cyclohexylpyrene-1-carboxamide.
What is the SMILES notation for N-cyclohexylpyrene-1-carboxamide?
The canonical SMILES for N-cyclohexylpyrene-1-carboxamide is O=C(NC1CCCCC1)c1ccc2ccc3cccc4ccc1c2c34.
What is the InChIKey of N-cyclohexylpyrene-1-carboxamide?
The InChIKey is FUQMFRJRICXNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21NO/c25-23(24-18-7-2-1-3-8-18)20-14-12-17-10-9-15-5-4-6-16-11-13-19(20)22(17)21(15)16/h4-6,9-14,18H,1-3,7-8H2,(H,24,25).
What are the key properties of N-cyclohexylpyrene-1-carboxamide?
N-cyclohexylpyrene-1-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylpyrene-1-carboxamide is sourced from PubChem (CID 15111774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).