6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide

C18H21N3O2 — CID 133450361

IUPAC6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cccc2c1CCN(c1ccc(C(=O)N(C)C)cn1)C2
InChIInChI=1S/C18H21N3O2/c1-20(2)18(22)13-7-8-17(19-11-13)21-10-9-15-14(12-21)5-4-6-16(15)23-3/h4-8,11H,9-10,12H2,1-3H3
InChIKeyWOWLLQJADGAVJS-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.35
Rot. Bonds3

About 6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide

6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide (PubChem CID 133450361) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide
PubChem CID133450361
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide
SMILESCOc1cccc2c1CCN(c1ccc(C(=O)N(C)C)cn1)C2
InChIInChI=1S/C18H21N3O2/c1-20(2)18(22)13-7-8-17(19-11-13)21-10-9-15-14(12-21)5-4-6-16(15)23-3/h4-8,11H,9-10,12H2,1-3H3
InChIKeyWOWLLQJADGAVJS-UHFFFAOYSA-N
XLogP2.35
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-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

Related Compounds

6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxylic acid
CID 4967934
[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 109152150
[5-chloro-6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]-piperidin-1-ylmethanone
CID 133450569
azepan-1-yl-[6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]methanone
CID 109160960
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(2,2-dimethoxyethyl)pyridine-3-carboxamide
CID 84570649
6-(3,4-dihydro-1H-isoquinolin-2-yl)-N,N-bis(prop-2-enyl)pyridine-3-carboxamide
CID 84571048
6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(furan-2-ylmethyl)pyridine-3-carboxamide
CID 109155413
N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109152489
methyl N-[6-(3,4-dihydro-1H-isoquinolin-2-yl)-3-pyridinyl]carbamate
CID 113013155
5-methoxy-3,4-dihydro-1H-isoquinolin-2-amine
CID 89009600
4-chloro-5-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-methylpyridazin-3-one
CID 133450517
6-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 115963854

Frequently Asked Questions

What is the IUPAC name of 6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide (CID 133450361) is 6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide is COc1cccc2c1CCN(c1ccc(C(=O)N(C)C)cn1)C2.
What is the InChIKey of 6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide?
The InChIKey is WOWLLQJADGAVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-20(2)18(22)13-7-8-17(19-11-13)21-10-9-15-14(12-21)5-4-6-16(15)23-3/h4-8,11H,9-10,12H2,1-3H3.
What are the key properties of 6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide?
6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N,N-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 133450361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).