6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide

C23H24N4O3 — CID 71624479

IUPAC6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCOc1ccc2c(c1OC)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2
InChIInChI=1S/C23H24N4O3/c1-15-5-4-6-20(25-15)26-23(28)16-8-10-21(24-13-16)27-12-11-18-17(14-27)7-9-19(29-2)22(18)30-3/h4-10,13H,11-12,14H2,1-3H3,(H,25,26,28)
InChIKeyXESNEHWISAPTLL-UHFFFAOYSA-N
MW404.47 g/mol
LogP3.62
Rot. Bonds5

About 6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide

6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 71624479) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
PubChem CID71624479
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCOc1ccc2c(c1OC)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2
InChIInChI=1S/C23H24N4O3/c1-15-5-4-6-20(25-15)26-23(28)16-8-10-21(24-13-16)27-12-11-18-17(14-27)7-9-19(29-2)22(18)30-3/h4-10,13H,11-12,14H2,1-3H3,(H,25,26,28)
InChIKeyXESNEHWISAPTLL-UHFFFAOYSA-N
XLogP3.62
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide (CID 71624479) is 6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide is COc1ccc2c(c1OC)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2.
What is the InChIKey of 6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is XESNEHWISAPTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-15-5-4-6-20(25-15)26-23(28)16-8-10-21(24-13-16)27-12-11-18-17(14-27)7-9-19(29-2)22(18)30-3/h4-10,13H,11-12,14H2,1-3H3,(H,25,26,28).
What are the key properties of 6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5,6-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 71624479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).