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

C16H25Cl2N3O — CID 119860698

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
SMILESCN1CCCC1CNC(=O)C1Cc2ccccc2CN1.Cl.Cl
InChIInChI=1S/C16H23N3O.2ClH/c1-19-8-4-7-14(19)11-18-16(20)15-9-12-5-2-3-6-13(12)10-17-15;;/h2-3,5-6,14-15,17H,4,7-11H2,1H3,(H,18,20);2*1H
InChIKeyPLWGGTMIBFVTIR-UHFFFAOYSA-N
MW346.30 g/mol
LogP1.75
Rot. Bonds3

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

N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride (PubChem CID 119860698) has the molecular formula C16H25Cl2N3O and a molecular weight of 346.30 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
PubChem CID119860698
Molecular FormulaC16H25Cl2N3O
Molecular Weight346.30 g/mol
Exact Mass345.14
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
SMILESCN1CCCC1CNC(=O)C1Cc2ccccc2CN1.Cl.Cl
InChIInChI=1S/C16H23N3O.2ClH/c1-19-8-4-7-14(19)11-18-16(20)15-9-12-5-2-3-6-13(12)10-17-15;;/h2-3,5-6,14-15,17H,4,7-11H2,1H3,(H,18,20);2*1H
InChIKeyPLWGGTMIBFVTIR-UHFFFAOYSA-N
XLogP1.75
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.30
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

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Related Compounds

(3S)-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896090
(3S)-N-[(1-methylpiperidin-3-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896407
N-[2-(1-methylpiperidin-4-yl)ethyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride
CID 119865913
N-[(2,2-dimethylcyclopropyl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 103796884
2-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroquinoline-3-carboxamide
CID 106026291
N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119287179
N-(thian-4-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 115733933
(3S)-N-(oxan-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104896399
4-hydroxy-N-[(1-methylpyrrolidin-2-yl)methyl]pyrrolidine-2-carboxamide;dihydrochloride
CID 119860703
(3R)-N-(2-ethylbutyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 104874033
N-(2-cyclopropylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;hydrochloride
CID 119039078
N-(2-oxo-2-piperidin-1-ylethyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 119287180

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride (CID 119860698) is N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride is CN1CCCC1CNC(=O)C1Cc2ccccc2CN1.Cl.Cl.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
The InChIKey is PLWGGTMIBFVTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.2ClH/c1-19-8-4-7-14(19)11-18-16(20)15-9-12-5-2-3-6-13(12)10-17-15;;/h2-3,5-6,14-15,17H,4,7-11H2,1H3,(H,18,20);2*1H.
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride?
N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride has a molecular weight of 346.30 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119860698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).