N-(2-aminopentyl)isoquinoline-1-carboxamide

C15H19N3O — CID 115737738

IUPACN-(2-aminopentyl)isoquinoline-1-carboxamide
SMILESCCCC(N)CNC(=O)c1nccc2ccccc12
InChIInChI=1S/C15H19N3O/c1-2-5-12(16)10-18-15(19)14-13-7-4-3-6-11(13)8-9-17-14/h3-4,6-9,12H,2,5,10,16H2,1H3,(H,18,19)
InChIKeyOCXVKIJYRPEWAB-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.09
Rot. Bonds5

About N-(2-aminopentyl)isoquinoline-1-carboxamide

N-(2-aminopentyl)isoquinoline-1-carboxamide (PubChem CID 115737738) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-(2-aminopentyl)isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(2-aminopentyl)isoquinoline-1-carboxamide
PubChem CID115737738
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-(2-aminopentyl)isoquinoline-1-carboxamide
SMILESCCCC(N)CNC(=O)c1nccc2ccccc12
InChIInChI=1S/C15H19N3O/c1-2-5-12(16)10-18-15(19)14-13-7-4-3-6-11(13)8-9-17-14/h3-4,6-9,12H,2,5,10,16H2,1H3,(H,18,19)
InChIKeyOCXVKIJYRPEWAB-UHFFFAOYSA-N
XLogP2.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chloropropyl)isoquinoline-1-carboxamide
CID 114296363
N-(2-bromo-3-ethylpentyl)isoquinoline-1-carboxamide
CID 106288137
N-(3-amino-2-methylpropyl)isoquinoline-1-carboxamide
CID 62667809
N-(4-bromo-2-methylbutyl)isoquinoline-1-carboxamide
CID 113276128
ethyl 2-benzyl-3-(isoquinoline-1-carbonylamino)propanoate
CID 60612136
N-[2-(methylamino)propyl]isoquinoline-1-carboxamide;dihydrochloride
CID 120831709
2-hydroxy-3-(isoquinoline-1-carbonylamino)propanoic acid
CID 66166243
N-[(2R)-2-(dimethylamino)-2-phenylethyl]isoquinoline-1-carboxamide
CID 52821972
N-heptan-4-yl-N-methylisoquinoline-1-carboxamide
CID 138509693
N-(2-aminopentyl)pyridine-4-carboxamide
CID 115737712
N-(4-hydroxybutan-2-yl)isoquinoline-1-carboxamide
CID 81042151
N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide
CID 63755212

Frequently Asked Questions

What is the IUPAC name of N-(2-aminopentyl)isoquinoline-1-carboxamide?
The IUPAC name of N-(2-aminopentyl)isoquinoline-1-carboxamide (CID 115737738) is N-(2-aminopentyl)isoquinoline-1-carboxamide.
What is the SMILES notation for N-(2-aminopentyl)isoquinoline-1-carboxamide?
The canonical SMILES for N-(2-aminopentyl)isoquinoline-1-carboxamide is CCCC(N)CNC(=O)c1nccc2ccccc12.
What is the InChIKey of N-(2-aminopentyl)isoquinoline-1-carboxamide?
The InChIKey is OCXVKIJYRPEWAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-2-5-12(16)10-18-15(19)14-13-7-4-3-6-11(13)8-9-17-14/h3-4,6-9,12H,2,5,10,16H2,1H3,(H,18,19).
What are the key properties of N-(2-aminopentyl)isoquinoline-1-carboxamide?
N-(2-aminopentyl)isoquinoline-1-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.09, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminopentyl)isoquinoline-1-carboxamide is sourced from PubChem (CID 115737738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).