N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide

C15H19N3O — CID 110485149

IUPACN-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc2cnccc2c1
InChIInChI=1S/C15H19N3O/c1-18(2)9-3-7-17-15(19)13-4-5-14-11-16-8-6-12(14)10-13/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,17,19)
InChIKeyMBFCOVDWRJTMIP-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.92
Rot. Bonds5

About N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide

N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide (PubChem CID 110485149) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide
PubChem CID110485149
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide
SMILESCN(C)CCCNC(=O)c1ccc2cnccc2c1
InChIInChI=1S/C15H19N3O/c1-18(2)9-3-7-17-15(19)13-4-5-14-11-16-8-6-12(14)10-13/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,17,19)
InChIKeyMBFCOVDWRJTMIP-UHFFFAOYSA-N
XLogP1.92
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-hydroxypropyl)isoquinoline-6-carboxamide
CID 110485097
N-hexylisoquinoline-6-carboxamide
CID 110485174
N-ethylisoquinoline-6-carboxamide
CID 110485080
N-[3-(dimethylamino)propyl]pyridine-4-carboxamide;hydrochloride
CID 110755338
N-(3-imidazol-1-ylpropyl)isoquinoline-6-carboxamide
CID 110485164
N-[3-(dimethylamino)propyl]-2,3-dimethylquinoxaline-6-carboxamide
CID 4062520
N-[3-(dimethylamino)propyl]benzo[b]quinolizin-5-ium-9-carboxamide
CID 23651480
N-[3-(dimethylamino)propyl]-3-methoxybenzamide
CID 3117661
3-N-butyl-5-N-[3-(dimethylamino)propyl]pyridine-3,5-dicarboxamide
CID 109101925
N-[3-[3-(dimethylamino)propylamino]propyl]pyridine-4-carboxamide;oxalic acid
CID 146050858
3-N-[3-(dimethylamino)propyl]-5-N-methyl-5-N-(2-pyridin-4-ylethyl)pyridine-3,5-dicarboxamide
CID 109104288
N-[3-(dimethylamino)propyl]-5-iodopyridine-3-carboxamide
CID 167310023

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide (CID 110485149) is N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide is CN(C)CCCNC(=O)c1ccc2cnccc2c1.
What is the InChIKey of N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide?
The InChIKey is MBFCOVDWRJTMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(2)9-3-7-17-15(19)13-4-5-14-11-16-8-6-12(14)10-13/h4-6,8,10-11H,3,7,9H2,1-2H3,(H,17,19).
What are the key properties of N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide?
N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]isoquinoline-6-carboxamide is sourced from PubChem (CID 110485149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).