3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide

C16H21N3O2 — CID 119801517

IUPAC3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide
SMILESCN1CCc2ccc(NC(=O)C3CCC(N)C3)cc2C1=O
InChIInChI=1S/C16H21N3O2/c1-19-7-6-10-3-5-13(9-14(10)16(19)21)18-15(20)11-2-4-12(17)8-11/h3,5,9,11-12H,2,4,6-8,17H2,1H3,(H,18,20)
InChIKeyHGDXAHVZYIQBJQ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.38
Rot. Bonds2

About 3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide

3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide (PubChem CID 119801517) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide
PubChem CID119801517
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide
SMILESCN1CCc2ccc(NC(=O)C3CCC(N)C3)cc2C1=O
InChIInChI=1S/C16H21N3O2/c1-19-7-6-10-3-5-13(9-14(10)16(19)21)18-15(20)11-2-4-12(17)8-11/h3,5,9,11-12H,2,4,6-8,17H2,1H3,(H,18,20)
InChIKeyHGDXAHVZYIQBJQ-UHFFFAOYSA-N
XLogP1.38
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,5R)-5-(aminomethyl)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxolane-2-carboxamide
CID 120794742
1-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopropane-1-carboxamide;hydrochloride
CID 119801508
(2R,3R)-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)-3-phenyloxolane-2-carboxamide
CID 136583936
3-amino-N-(3,4-dimethylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670627
3-amino-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)cyclopentane-1-carboxamide
CID 119764734
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide
CID 119864403
3-amino-N-[3-(4-methylpiperazin-1-yl)sulfonylphenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119864402
9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120994058
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119860849
3-amino-N-[4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]cyclopentane-1-carboxamide
CID 119903580
3-amino-N-[3-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]phenyl]cyclopentane-1-carboxamide
CID 119899017
3-amino-N-(4-methylphenyl)cyclopentane-1-carboxamide;hydrochloride
CID 119670946

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide?
The IUPAC name of 3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide (CID 119801517) is 3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide is CN1CCc2ccc(NC(=O)C3CCC(N)C3)cc2C1=O.
What is the InChIKey of 3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide?
The InChIKey is HGDXAHVZYIQBJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-19-7-6-10-3-5-13(9-14(10)16(19)21)18-15(20)11-2-4-12(17)8-11/h3,5,9,11-12H,2,4,6-8,17H2,1H3,(H,18,20).
What are the key properties of 3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide?
3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 119801517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).