(3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

C11H14N2O — CID 10655298

IUPAC(3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCNC(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C11H14N2O/c1-12-11(14)10-6-8-4-2-3-5-9(8)7-13-10/h2-5,10,13H,6-7H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyFPGCNHBNSLPKMJ-JTQLQIEISA-N
MW190.25 g/mol
LogP0.45
Rot. Bonds1

About (3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide

(3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (PubChem CID 10655298) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is (3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
PubChem CID10655298
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name(3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
SMILESCNC(=O)[C@@H]1Cc2ccccc2CN1
InChIInChI=1S/C11H14N2O/c1-12-11(14)10-6-8-4-2-3-5-9(8)7-13-10/h2-5,10,13H,6-7H2,1H3,(H,12,14)/t10-/m0/s1
InChIKeyFPGCNHBNSLPKMJ-JTQLQIEISA-N
XLogP0.45
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The IUPAC name of (3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide (CID 10655298) is (3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide.
What is the SMILES notation for (3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The canonical SMILES for (3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is CNC(=O)[C@@H]1Cc2ccccc2CN1.
What is the InChIKey of (3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
The InChIKey is FPGCNHBNSLPKMJ-JTQLQIEISA-N. The full InChI is InChI=1S/C11H14N2O/c1-12-11(14)10-6-8-4-2-3-5-9(8)7-13-10/h2-5,10,13H,6-7H2,1H3,(H,12,14)/t10-/m0/s1.
What are the key properties of (3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide?
(3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide has a molecular weight of 190.25 g/mol, XLogP of 0.45, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-methyl-1,2,3,4-tetrahydroisoquinoline-3-carboxamide is sourced from PubChem (CID 10655298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).