2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide

C15H17N3O2 — CID 155952448

IUPAC2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide
SMILESNCC1(CC(=O)Nc2ccc3c(=O)[nH]ccc3c2)CC1
InChIInChI=1S/C15H17N3O2/c16-9-15(4-5-15)8-13(19)18-11-1-2-12-10(7-11)3-6-17-14(12)20/h1-3,6-7H,4-5,8-9,16H2,(H,17,20)(H,18,19)
InChIKeyZEJNBFQCRHYXMV-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.60
Rot. Bonds4

About 2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide

2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide (PubChem CID 155952448) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide.

Molecular Properties

Compound Name2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide
PubChem CID155952448
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide
SMILESNCC1(CC(=O)Nc2ccc3c(=O)[nH]ccc3c2)CC1
InChIInChI=1S/C15H17N3O2/c16-9-15(4-5-15)8-13(19)18-11-1-2-12-10(7-11)3-6-17-14(12)20/h1-3,6-7H,4-5,8-9,16H2,(H,17,20)(H,18,19)
InChIKeyZEJNBFQCRHYXMV-UHFFFAOYSA-N
XLogP1.60
TPSA87.98 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-oxo-2H-isoquinolin-6-yl)-2-(5-oxopyrrolidin-2-yl)acetamide
CID 155952939
N-(1-oxo-2H-isoquinolin-6-yl)cyclohexanecarboxamide
CID 152967795
2-amino-N-(1-oxo-2H-isoquinolin-6-yl)-2-phenylacetamide
CID 68873416
2-(3-methylimidazol-4-yl)-N-(1-oxo-2H-isoquinolin-6-yl)acetamide
CID 167864856
2-(1-aminocyclopentyl)-N-(1H-indol-5-yl)acetamide
CID 64679206
2-fluoro-N-(1-oxo-2H-isoquinolin-6-yl)-2-pyrrolidin-3-ylacetamide
CID 167977687
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81167866
1-oxo-2H-isoquinoline-6-carboxamide
CID 22175306
2-(1-aminocyclohexyl)-N-(1H-indol-5-yl)acetamide
CID 64679208
2-[1-(aminomethyl)cyclobutyl]-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 81179560
2,5-dichloro-N-(1-oxo-2H-isoquinolin-6-yl)thiophene-3-carboxamide
CID 24863364
1-[2-(1H-indol-5-ylamino)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 60941797

Frequently Asked Questions

What is the IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide?
The IUPAC name of 2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide (CID 155952448) is 2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide.
What is the SMILES notation for 2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide?
The canonical SMILES for 2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide is NCC1(CC(=O)Nc2ccc3c(=O)[nH]ccc3c2)CC1.
What is the InChIKey of 2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide?
The InChIKey is ZEJNBFQCRHYXMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c16-9-15(4-5-15)8-13(19)18-11-1-2-12-10(7-11)3-6-17-14(12)20/h1-3,6-7H,4-5,8-9,16H2,(H,17,20)(H,18,19).
What are the key properties of 2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide?
2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide has a molecular weight of 271.32 g/mol, XLogP of 1.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(aminomethyl)cyclopropyl]-N-(1-oxo-2H-isoquinolin-6-yl)acetamide is sourced from PubChem (CID 155952448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).