N-cycloheptylisoquinoline-6-carboxamide

C17H20N2O — CID 110485190

IUPACN-cycloheptylisoquinoline-6-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc2cnccc2c1
InChIInChI=1S/C17H20N2O/c20-17(19-16-5-3-1-2-4-6-16)14-7-8-15-12-18-10-9-13(15)11-14/h7-12,16H,1-6H2,(H,19,20)
InChIKeyOBHICMHZHVYIAZ-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.69
Rot. Bonds2

About N-cycloheptylisoquinoline-6-carboxamide

N-cycloheptylisoquinoline-6-carboxamide (PubChem CID 110485190) has the molecular formula C17H20N2O and a molecular weight of 268.36 g/mol. Its IUPAC name is N-cycloheptylisoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-cycloheptylisoquinoline-6-carboxamide
PubChem CID110485190
Molecular FormulaC17H20N2O
Molecular Weight268.36 g/mol
Exact Mass268.16
IUPAC NameN-cycloheptylisoquinoline-6-carboxamide
SMILESO=C(NC1CCCCCC1)c1ccc2cnccc2c1
InChIInChI=1S/C17H20N2O/c20-17(19-16-5-3-1-2-4-6-16)14-7-8-15-12-18-10-9-13(15)11-14/h7-12,16H,1-6H2,(H,19,20)
InChIKeyOBHICMHZHVYIAZ-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-cycloheptylisoquinoline-6-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-cyclohexylpyridine-4-carboxamide
CID 3436730
N-pyrrolidin-3-ylisoquinoline-7-carboxamide
CID 18337236
N-cyclopentylpyridine-4-carboxamide
CID 4212000
N-cycloheptyl-2,7-naphthyridine-1-carboxamide
CID 166311293
N-cyclopentylpyridine-3-carboxamide
CID 805532
N-cyclohexyl-4-(2-pyridin-4-ylethyl)benzamide
CID 67802758
N-cyclohexyl-1H-indole-6-carboxamide
CID 39706974
N-cyclohexylpyridazine-4-carboxamide
CID 112701044
N-[6-[(cyclohexylamino)-phenylmethyl]-5-methyl-2-pyridinyl]isoquinoline-6-carboxamide
CID 171492093
N-cyclohexyl-2-fluoropyridine-4-carboxamide
CID 59355741
N-ethylisoquinoline-6-carboxamide
CID 110485080
3-N-cyclopentyl-5-N-cyclopropylpyridine-3,5-dicarboxamide
CID 109101527

Frequently Asked Questions

What is the IUPAC name of N-cycloheptylisoquinoline-6-carboxamide?
The IUPAC name of N-cycloheptylisoquinoline-6-carboxamide (CID 110485190) is N-cycloheptylisoquinoline-6-carboxamide.
What is the SMILES notation for N-cycloheptylisoquinoline-6-carboxamide?
The canonical SMILES for N-cycloheptylisoquinoline-6-carboxamide is O=C(NC1CCCCCC1)c1ccc2cnccc2c1.
What is the InChIKey of N-cycloheptylisoquinoline-6-carboxamide?
The InChIKey is OBHICMHZHVYIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O/c20-17(19-16-5-3-1-2-4-6-16)14-7-8-15-12-18-10-9-13(15)11-14/h7-12,16H,1-6H2,(H,19,20).
What are the key properties of N-cycloheptylisoquinoline-6-carboxamide?
N-cycloheptylisoquinoline-6-carboxamide has a molecular weight of 268.36 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptylisoquinoline-6-carboxamide is sourced from PubChem (CID 110485190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).