N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

C16H23N3O — CID 65260755

IUPACN-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCN1CCC(CNC(=O)C2CNCc3ccccc32)C1
InChIInChI=1S/C16H23N3O/c1-19-7-6-12(11-19)8-18-16(20)15-10-17-9-13-4-2-3-5-14(13)15/h2-5,12,15,17H,6-11H2,1H3,(H,18,20)
InChIKeyOVORWYDLLVYBGQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP0.94
Rot. Bonds3

About N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide

N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (PubChem CID 65260755) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
PubChem CID65260755
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
SMILESCN1CCC(CNC(=O)C2CNCc3ccccc32)C1
InChIInChI=1S/C16H23N3O/c1-19-7-6-12(11-19)8-18-16(20)15-10-17-9-13-4-2-3-5-14(13)15/h2-5,12,15,17H,6-11H2,1H3,(H,18,20)
InChIKeyOVORWYDLLVYBGQ-UHFFFAOYSA-N
XLogP0.94
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(cyclobutylmethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260937
N-[(4-methylmorpholin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 79082206
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260988
N-prop-2-ynyl-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65260647
N-[[(3S)-1-methylpyrrolidin-3-yl]methyl]azetidine-3-carboxamide
CID 92632000
N-(3-cyclopentylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106011603
N-(2,2-dimethylbutyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 103461461
N-[(1-hydroxycyclopentyl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 65262406
N-[(1-ethylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indole-3-carboxamide
CID 80565293
(2S)-2-hydroxy-4-(1,2,3,4-tetrahydroisoquinoline-4-carbonylamino)butanoic acid
CID 107836320
N-(2-methoxy-2-methylpropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 104761331
N-(3-amino-2-hydroxy-3-oxopropyl)-1,2,3,4-tetrahydroisoquinoline-4-carboxamide
CID 106175930

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide (CID 65260755) is N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is CN1CCC(CNC(=O)C2CNCc3ccccc32)C1.
What is the InChIKey of N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is OVORWYDLLVYBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-19-7-6-12(11-19)8-18-16(20)15-10-17-9-13-4-2-3-5-14(13)15/h2-5,12,15,17H,6-11H2,1H3,(H,18,20).
What are the key properties of N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide?
N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 65260755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).