1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide

C17H21N3O — CID 106772163

IUPAC1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide
SMILESCC1CCC(NC(=O)c2cnc(N)c3ccccc23)C1C
InChIInChI=1S/C17H21N3O/c1-10-7-8-15(11(10)2)20-17(21)14-9-19-16(18)13-6-4-3-5-12(13)14/h3-6,9-11,15H,7-8H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyUNZOUPATLKWPNH-UHFFFAOYSA-N
MW283.37 g/mol
LogP2.98
Rot. Bonds2

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

1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide (PubChem CID 106772163) has the molecular formula C17H21N3O and a molecular weight of 283.37 g/mol. Its IUPAC name is 1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide
PubChem CID106772163
Molecular FormulaC17H21N3O
Molecular Weight283.37 g/mol
Exact Mass283.17
IUPAC Name1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide
SMILESCC1CCC(NC(=O)c2cnc(N)c3ccccc23)C1C
InChIInChI=1S/C17H21N3O/c1-10-7-8-15(11(10)2)20-17(21)14-9-19-16(18)13-6-4-3-5-12(13)14/h3-6,9-11,15H,7-8H2,1-2H3,(H2,18,19)(H,20,21)
InChIKeyUNZOUPATLKWPNH-UHFFFAOYSA-N
XLogP2.98
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-cyclopentylisoquinoline-4-carboxamide
CID 106770096
N-(2,3-dimethylcyclopentyl)-2-fluorobenzamide
CID 64907181
1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide
CID 106770157
N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-1-(4-methoxyanilino)isoquinoline-4-carboxamide
CID 92654091
1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide
CID 106771845
2-amino-N-(2,3-dimethylcyclohexyl)benzamide;hydrochloride
CID 119943682
1-(3-chloro-4-methylanilino)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]isoquinoline-4-carboxamide
CID 92653125
N-(2,3-dimethylcyclopentyl)-2-(ethylamino)benzamide
CID 64923029
1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-4-carboxamide
CID 106770794
2-amino-N-(2,3-dimethylcyclopentyl)-6-methylbenzamide
CID 64909917
2-amino-N-(2,3-dimethylcyclopentyl)-3-nitrobenzamide
CID 115936836
2-amino-N-(2,3-dimethylcyclopentyl)-4-methoxybenzamide
CID 115413379

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide (CID 106772163) is 1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide is CC1CCC(NC(=O)c2cnc(N)c3ccccc23)C1C.
What is the InChIKey of 1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide?
The InChIKey is UNZOUPATLKWPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-10-7-8-15(11(10)2)20-17(21)14-9-19-16(18)13-6-4-3-5-12(13)14/h3-6,9-11,15H,7-8H2,1-2H3,(H2,18,19)(H,20,21).
What are the key properties of 1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide?
1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide has a molecular weight of 283.37 g/mol, XLogP of 2.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106772163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).