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

C26H30N4O3 — CID 142752336

IUPAC6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCCOc1ccc2c(c1OC(C)C)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2
InChIInChI=1S/C26H30N4O3/c1-5-32-22-11-9-20-16-30(14-13-21(20)25(22)33-17(2)3)24-12-10-19(15-27-24)26(31)29-23-8-6-7-18(4)28-23/h6-12,15,17H,5,13-14,16H2,1-4H3,(H,28,29,31)
InChIKeyQZNKAJSQAZCFDF-UHFFFAOYSA-N
MW446.55 g/mol
LogP4.79
Rot. Bonds7

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

6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 142752336) has the molecular formula C26H30N4O3 and a molecular weight of 446.55 g/mol. Its IUPAC name is 6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
PubChem CID142752336
Molecular FormulaC26H30N4O3
Molecular Weight446.55 g/mol
Exact Mass446.23
IUPAC Name6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCCOc1ccc2c(c1OC(C)C)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2
InChIInChI=1S/C26H30N4O3/c1-5-32-22-11-9-20-16-30(14-13-21(20)25(22)33-17(2)3)24-12-10-19(15-27-24)26(31)29-23-8-6-7-18(4)28-23/h6-12,15,17H,5,13-14,16H2,1-4H3,(H,28,29,31)
InChIKeyQZNKAJSQAZCFDF-UHFFFAOYSA-N
XLogP4.79
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.55
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide (CID 142752336) is 6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide is CCOc1ccc2c(c1OC(C)C)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2.
What is the InChIKey of 6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is QZNKAJSQAZCFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N4O3/c1-5-32-22-11-9-20-16-30(14-13-21(20)25(22)33-17(2)3)24-12-10-19(15-27-24)26(31)29-23-8-6-7-18(4)28-23/h6-12,15,17H,5,13-14,16H2,1-4H3,(H,28,29,31).
What are the key properties of 6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 446.55 g/mol, XLogP of 4.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethoxy-5-propan-2-yloxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 142752336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).