1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide

C17H21N3O — CID 106771845

IUPAC1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide
SMILESCNc1ncc(C(=O)NC2CCCC2C)c2ccccc12
InChIInChI=1S/C17H21N3O/c1-11-6-5-9-15(11)20-17(21)14-10-19-16(18-2)13-8-4-3-7-12(13)14/h3-4,7-8,10-11,15H,5-6,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyKXPJCVGOOHRZOY-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.19
Rot. Bonds3

About 1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide

1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide (PubChem CID 106771845) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide
PubChem CID106771845
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide
SMILESCNc1ncc(C(=O)NC2CCCC2C)c2ccccc12
InChIInChI=1S/C17H21N3O/c1-11-6-5-9-15(11)20-17(21)14-10-19-16(18-2)13-8-4-3-7-12(13)14/h3-4,7-8,10-11,15H,5-6,9H2,1-2H3,(H,18,19)(H,20,21)
InChIKeyKXPJCVGOOHRZOY-UHFFFAOYSA-N
XLogP3.19
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S,2S,3S)-2,3-dimethylcyclohexyl]-1-(4-methoxyanilino)isoquinoline-4-carboxamide
CID 92654091
5-bromo-2-(methylamino)-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 55042655
1-(3-chloro-4-methylanilino)-N-[(1R,2R,3R)-2,3-dimethylcyclohexyl]isoquinoline-4-carboxamide
CID 92653125
methyl 1-[(2,3-dimethylcyclohexyl)amino]isoquinoline-4-carboxylate
CID 126476831
3-(methylamino)-N-(2-methylcycloheptyl)pyridine-4-carboxamide
CID 105070514
5-bromo-2-hydrazinyl-N-(2-methylcyclopentyl)pyridine-3-carboxamide
CID 63279137
N-[(1S,2R)-2-methylcyclopentyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 95386223
2-methyl-N-(2-methylcyclohexyl)-1-oxoisoquinoline-4-carboxamide
CID 4288589
1-amino-N-(2,3-dimethylcyclopentyl)isoquinoline-4-carboxamide
CID 106772163
2-methyl-N-[(1R,2S)-2-methylcyclohexyl]benzamide
CID 804412
2-fluoro-N-(2-methylcyclohexyl)benzamide
CID 51166100
2-amino-N-(2-methylcyclohexyl)pyridine-3-carboxamide
CID 53334696

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide (CID 106771845) is 1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide is CNc1ncc(C(=O)NC2CCCC2C)c2ccccc12.
What is the InChIKey of 1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide?
The InChIKey is KXPJCVGOOHRZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-11-6-5-9-15(11)20-17(21)14-10-19-16(18-2)13-8-4-3-7-12(13)14/h3-4,7-8,10-11,15H,5-6,9H2,1-2H3,(H,18,19)(H,20,21).
What are the key properties of 1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide?
1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-(2-methylcyclopentyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106771845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).