2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide

C17H19N3O — CID 154865604

IUPAC2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
SMILESCc1ccncc1CC(=O)Nc1cccc2c1CNCC2
InChIInChI=1S/C17H19N3O/c1-12-5-7-18-10-14(12)9-17(21)20-16-4-2-3-13-6-8-19-11-15(13)16/h2-5,7,10,19H,6,8-9,11H2,1H3,(H,20,21)
InChIKeyIICDEQKQIDLVOQ-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.22
Rot. Bonds3

About 2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide

2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide (PubChem CID 154865604) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide.

Molecular Properties

Compound Name2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
PubChem CID154865604
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC Name2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide
SMILESCc1ccncc1CC(=O)Nc1cccc2c1CNCC2
InChIInChI=1S/C17H19N3O/c1-12-5-7-18-10-14(12)9-17(21)20-16-4-2-3-13-6-8-19-11-15(13)16/h2-5,7,10,19H,6,8-9,11H2,1H3,(H,20,21)
InChIKeyIICDEQKQIDLVOQ-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide?
The IUPAC name of 2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide (CID 154865604) is 2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide.
What is the SMILES notation for 2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide?
The canonical SMILES for 2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide is Cc1ccncc1CC(=O)Nc1cccc2c1CNCC2.
What is the InChIKey of 2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide?
The InChIKey is IICDEQKQIDLVOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-12-5-7-18-10-14(12)9-17(21)20-16-4-2-3-13-6-8-19-11-15(13)16/h2-5,7,10,19H,6,8-9,11H2,1H3,(H,20,21).
What are the key properties of 2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide?
2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 2.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-pyridinyl)-N-(1,2,3,4-tetrahydroisoquinolin-8-yl)acetamide is sourced from PubChem (CID 154865604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).