3-amino-N-isoquinolin-6-ylpropanamide;ethane

C14H19N3O — CID 153349000

IUPAC3-amino-N-isoquinolin-6-ylpropanamide;ethane
SMILESCC.NCCC(=O)Nc1ccc2cnccc2c1
InChIInChI=1S/C12H13N3O.C2H6/c13-5-3-12(16)15-11-2-1-10-8-14-6-4-9(10)7-11;1-2/h1-2,4,6-8H,3,5,13H2,(H,15,16);1-2H3
InChIKeyLAGKYJFKIJLSEP-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.55
Rot. Bonds3

About 3-amino-N-isoquinolin-6-ylpropanamide;ethane

3-amino-N-isoquinolin-6-ylpropanamide;ethane (PubChem CID 153349000) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-amino-N-isoquinolin-6-ylpropanamide;ethane.

Molecular Properties

Compound Name3-amino-N-isoquinolin-6-ylpropanamide;ethane
PubChem CID153349000
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name3-amino-N-isoquinolin-6-ylpropanamide;ethane
SMILESCC.NCCC(=O)Nc1ccc2cnccc2c1
InChIInChI=1S/C12H13N3O.C2H6/c13-5-3-12(16)15-11-2-1-10-8-14-6-4-9(10)7-11;1-2/h1-2,4,6-8H,3,5,13H2,(H,15,16);1-2H3
InChIKeyLAGKYJFKIJLSEP-UHFFFAOYSA-N
XLogP2.55
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-isoquinolin-6-ylbutanamide
CID 118007953
N-isoquinolin-6-yl-3-phenylpropanamide
CID 24999503
N-isoquinolin-6-ylpropanamide;dihydrochloride
CID 66599624
ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
N-isoquinolin-6-yl-2-(3-methylanilino)acetamide
CID 59857964
2-(3-acetylanilino)-N-isoquinolin-6-ylacetamide
CID 59857970
N-isoquinolin-6-yl-2,2-dimethylpropanamide
CID 135199975
4-(diaminomethylideneamino)-N-isoquinolin-6-yl-4-thiophen-2-ylbutanamide
CID 46185630
N-isoquinolin-6-yl-2-piperidin-1-ylacetamide
CID 134249863
N-isoquinolin-6-yl-2-(3-propan-2-yloxyanilino)acetamide
CID 59857971
[4-[2-(isoquinolin-6-ylamino)-2-oxoethyl]phenyl]methyl formate
CID 145314427
(2R)-3-amino-2-(4-chlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 86270792

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-isoquinolin-6-ylpropanamide;ethane?
The IUPAC name of 3-amino-N-isoquinolin-6-ylpropanamide;ethane (CID 153349000) is 3-amino-N-isoquinolin-6-ylpropanamide;ethane.
What is the SMILES notation for 3-amino-N-isoquinolin-6-ylpropanamide;ethane?
The canonical SMILES for 3-amino-N-isoquinolin-6-ylpropanamide;ethane is CC.NCCC(=O)Nc1ccc2cnccc2c1.
What is the InChIKey of 3-amino-N-isoquinolin-6-ylpropanamide;ethane?
The InChIKey is LAGKYJFKIJLSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O.C2H6/c13-5-3-12(16)15-11-2-1-10-8-14-6-4-9(10)7-11;1-2/h1-2,4,6-8H,3,5,13H2,(H,15,16);1-2H3.
What are the key properties of 3-amino-N-isoquinolin-6-ylpropanamide;ethane?
3-amino-N-isoquinolin-6-ylpropanamide;ethane has a molecular weight of 245.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-isoquinolin-6-ylpropanamide;ethane is sourced from PubChem (CID 153349000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).