N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C17H24N2O — CID 64907413

IUPACN-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC1CCC(NC(=O)C2Cc3ccccc3CN2)C1C
InChIInChI=1S/C17H24N2O/c1-11-7-8-15(12(11)2)19-17(20)16-9-13-5-3-4-6-14(13)10-18-16/h3-6,11-12,15-16,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyBPGHXTITUGMJOX-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.25
Rot. Bonds2

About N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 64907413) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID64907413
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCC1CCC(NC(=O)C2Cc3ccccc3CN2)C1C
InChIInChI=1S/C17H24N2O/c1-11-7-8-15(12(11)2)19-17(20)16-9-13-5-3-4-6-14(13)10-18-16/h3-6,11-12,15-16,18H,7-10H2,1-2H3,(H,19,20)
InChIKeyBPGHXTITUGMJOX-UHFFFAOYSA-N
XLogP2.25
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-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-(2,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 43185707
(3S)-N-(3-ethyl-2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896608
(3S)-N-(3,4-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896600
N-(2-methyloxolan-3-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 82729225
N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 107221971
N-(2-phenylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119281644
(3S)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896194
(3R)-N-(2-cyanocyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 62963639
N-(2-propylcyclopropyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119342973
N-(3-methylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119285436
(3S)-N-(1-acetylpiperidin-4-yl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 97311671
(3S)-N-(3-hydroxy-2,2-dimethylcyclobutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104940484

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 64907413) is N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CC1CCC(NC(=O)C2Cc3ccccc3CN2)C1C.
What is the InChIKey of N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is BPGHXTITUGMJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-11-7-8-15(12(11)2)19-17(20)16-9-13-5-3-4-6-14(13)10-18-16/h3-6,11-12,15-16,18H,7-10H2,1-2H3,(H,19,20).
What are the key properties of N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 64907413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).