1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide

C17H23N3O — CID 106770174

IUPAC1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(NC)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-4-10-20(11-5-2)17(21)15-12-19-16(18-3)14-9-7-6-8-13(14)15/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyOGFYXMYTMPOWDL-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.54
Rot. Bonds6

About 1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide

1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide (PubChem CID 106770174) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide
PubChem CID106770174
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide
SMILESCCCN(CCC)C(=O)c1cnc(NC)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-4-10-20(11-5-2)17(21)15-12-19-16(18-3)14-9-7-6-8-13(14)15/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,19)
InChIKeyOGFYXMYTMPOWDL-UHFFFAOYSA-N
XLogP3.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106770477
N-butyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106769901
N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106771439
N-(2,2-difluoroethyl)-1-(methylamino)isoquinoline-4-carboxamide
CID 106772538
1-(methylamino)-N-(2,2,2-trifluoroethyl)isoquinoline-4-carboxamide
CID 106769970
1-(methylamino)-N-(2-methylsulfinylethyl)isoquinoline-4-carboxamide
CID 106772837
1-chloro-N,N-diethylisoquinoline-4-carboxamide
CID 106765835
N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62174192
1-methyl-N,N-dipropylindole-3-carboxamide
CID 110762474
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide
CID 106771618
N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide
CID 106773886
2-(methylamino)-N-propyl-N-(2,2,2-trifluoroethyl)pyridine-3-carboxamide
CID 62180106

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide?
The IUPAC name of 1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide (CID 106770174) is 1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide.
What is the SMILES notation for 1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide?
The canonical SMILES for 1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide is CCCN(CCC)C(=O)c1cnc(NC)c2ccccc12.
What is the InChIKey of 1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide?
The InChIKey is OGFYXMYTMPOWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-4-10-20(11-5-2)17(21)15-12-19-16(18-3)14-9-7-6-8-13(14)15/h6-9,12H,4-5,10-11H2,1-3H3,(H,18,19).
What are the key properties of 1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide?
1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.54, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide is sourced from PubChem (CID 106770174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).