1-(methylamino)-N-propylisoquinoline-3-carboxamide

C14H17N3O — CID 62171984

IUPAC1-(methylamino)-N-propylisoquinoline-3-carboxamide
SMILESCCCNC(=O)c1cc2ccccc2c(NC)n1
InChIInChI=1S/C14H17N3O/c1-3-8-16-14(18)12-9-10-6-4-5-7-11(10)13(15-2)17-12/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyJTWKHQMMGPBFKV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.42
Rot. Bonds4

About 1-(methylamino)-N-propylisoquinoline-3-carboxamide

1-(methylamino)-N-propylisoquinoline-3-carboxamide (PubChem CID 62171984) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 1-(methylamino)-N-propylisoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-(methylamino)-N-propylisoquinoline-3-carboxamide
PubChem CID62171984
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name1-(methylamino)-N-propylisoquinoline-3-carboxamide
SMILESCCCNC(=O)c1cc2ccccc2c(NC)n1
InChIInChI=1S/C14H17N3O/c1-3-8-16-14(18)12-9-10-6-4-5-7-11(10)13(15-2)17-12/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKeyJTWKHQMMGPBFKV-UHFFFAOYSA-N
XLogP2.42
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-1-(propylamino)isoquinoline-3-carboxamide
CID 55042554
N-(2,2-dimethylbutyl)-1-(methylamino)isoquinoline-3-carboxamide
CID 103464570
N-(2,2-difluoroethyl)-1-(methylamino)isoquinoline-3-carboxamide
CID 115408617
N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62174192
N-(2-methylpropyl)-1-(propylamino)isoquinoline-3-carboxamide
CID 62172724
N-(2-methoxy-2-methylpropyl)-1-(methylamino)isoquinoline-3-carboxamide
CID 104765623
N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide
CID 62168608
N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide
CID 62171251
N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide
CID 62170487
1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide
CID 62249319
1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide
CID 62156009
1-chloro-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide
CID 43567471

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-N-propylisoquinoline-3-carboxamide?
The IUPAC name of 1-(methylamino)-N-propylisoquinoline-3-carboxamide (CID 62171984) is 1-(methylamino)-N-propylisoquinoline-3-carboxamide.
What is the SMILES notation for 1-(methylamino)-N-propylisoquinoline-3-carboxamide?
The canonical SMILES for 1-(methylamino)-N-propylisoquinoline-3-carboxamide is CCCNC(=O)c1cc2ccccc2c(NC)n1.
What is the InChIKey of 1-(methylamino)-N-propylisoquinoline-3-carboxamide?
The InChIKey is JTWKHQMMGPBFKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-3-8-16-14(18)12-9-10-6-4-5-7-11(10)13(15-2)17-12/h4-7,9H,3,8H2,1-2H3,(H,15,17)(H,16,18).
What are the key properties of 1-(methylamino)-N-propylisoquinoline-3-carboxamide?
1-(methylamino)-N-propylisoquinoline-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-N-propylisoquinoline-3-carboxamide is sourced from PubChem (CID 62171984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).