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

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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).