N-(4-methylcyclohexyl)isoquinoline-3-carboxamide

C17H20N2O — CID 22136395

IUPACN-(4-methylcyclohexyl)isoquinoline-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3ccccc3cn2)CC1
InChIInChI=1S/C17H20N2O/c1-12-6-8-15(9-7-12)19-17(20)16-10-13-4-2-3-5-14(13)11-18-16/h2-5,10-12,15H,6-9H2,1H3,(H,19,20)
InChIKeyWKKZKTCIJHYBPR-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.54
Rot. Bonds2

About N-(4-methylcyclohexyl)isoquinoline-3-carboxamide

N-(4-methylcyclohexyl)isoquinoline-3-carboxamide (PubChem CID 22136395) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-(4-methylcyclohexyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(4-methylcyclohexyl)isoquinoline-3-carboxamide
PubChem CID22136395
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-(4-methylcyclohexyl)isoquinoline-3-carboxamide
SMILESCC1CCC(NC(=O)c2cc3ccccc3cn2)CC1
InChIInChI=1S/C17H20N2O/c1-12-6-8-15(9-7-12)19-17(20)16-10-13-4-2-3-5-14(13)11-18-16/h2-5,10-12,15H,6-9H2,1H3,(H,19,20)
InChIKeyWKKZKTCIJHYBPR-UHFFFAOYSA-N
XLogP3.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(4-methylcyclohexyl)isoquinoline-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

Related Compounds

N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 24633709
N-[4-[methyl-(1-methylpyrrolidin-3-yl)carbamoyl]cyclohexyl]isoquinoline-3-carboxamide
CID 169417106
4-(methylamino)-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 55042259
5-(ethylamino)-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 104639829
5-carbamothioyl-N-(4-methylcyclohexyl)pyridine-2-carboxamide
CID 55229060
N-(4-methylcyclohexyl)quinoline-6-carboxamide
CID 22136406
N-(4-methylcyclohexyl)-6,7-dihydro-5H-cyclopenta[b]pyrazine-3-carboxamide
CID 10467752
2-[(4-methylcycloheptyl)carbamoyl]pyridine-4-carboxylic acid
CID 122056326
8-methoxy-N-(4-methylcyclohexyl)quinoline-3-carboxamide
CID 22136433
5-methyl-N-(4-methylcyclohexyl)-1,2-oxazole-3-carboxamide
CID 17173829
6-(methylamino)-N-(4-methylcyclohexyl)pyrazine-2-carboxamide
CID 114035620
N-cycloheptylcinnoline-3-carboxamide
CID 110705102

Frequently Asked Questions

What is the IUPAC name of N-(4-methylcyclohexyl)isoquinoline-3-carboxamide?
The IUPAC name of N-(4-methylcyclohexyl)isoquinoline-3-carboxamide (CID 22136395) is N-(4-methylcyclohexyl)isoquinoline-3-carboxamide.
What is the SMILES notation for N-(4-methylcyclohexyl)isoquinoline-3-carboxamide?
The canonical SMILES for N-(4-methylcyclohexyl)isoquinoline-3-carboxamide is CC1CCC(NC(=O)c2cc3ccccc3cn2)CC1.
What is the InChIKey of N-(4-methylcyclohexyl)isoquinoline-3-carboxamide?
The InChIKey is WKKZKTCIJHYBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c1-12-6-8-15(9-7-12)19-17(20)16-10-13-4-2-3-5-14(13)11-18-16/h2-5,10-12,15H,6-9H2,1H3,(H,19,20).
What are the key properties of N-(4-methylcyclohexyl)isoquinoline-3-carboxamide?
N-(4-methylcyclohexyl)isoquinoline-3-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylcyclohexyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 22136395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).