N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

C17H19N3O — CID 62996110

IUPACN-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCc1ccc(CNC(=O)C2NCCc3ccccc32)cn1
InChIInChI=1S/C17H19N3O/c1-12-6-7-13(10-19-12)11-20-17(21)16-15-5-3-2-4-14(15)8-9-18-16/h2-7,10,16,18H,8-9,11H2,1H3,(H,20,21)
InChIKeyJFBVBFAWTLQSKJ-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.89
Rot. Bonds3

About N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide

N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (PubChem CID 62996110) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
PubChem CID62996110
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide
SMILESCc1ccc(CNC(=O)C2NCCc3ccccc32)cn1
InChIInChI=1S/C17H19N3O/c1-12-6-7-13(10-19-12)11-20-17(21)16-15-5-3-2-4-14(15)8-9-18-16/h2-7,10,16,18H,8-9,11H2,1H3,(H,20,21)
InChIKeyJFBVBFAWTLQSKJ-UHFFFAOYSA-N
XLogP1.89
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-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 N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The IUPAC name of N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide (CID 62996110) is N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide.
What is the SMILES notation for N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The canonical SMILES for N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is Cc1ccc(CNC(=O)C2NCCc3ccccc32)cn1.
What is the InChIKey of N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
The InChIKey is JFBVBFAWTLQSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-6-7-13(10-19-12)11-20-17(21)16-15-5-3-2-4-14(15)8-9-18-16/h2-7,10,16,18H,8-9,11H2,1H3,(H,20,21).
What are the key properties of N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide?
N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methyl-3-pyridinyl)methyl]-1,2,3,4-tetrahydroisoquinoline-1-carboxamide is sourced from PubChem (CID 62996110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).