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

C23H24N4O2 — CID 71624698

IUPAC6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2
InChIInChI=1S/C23H24N4O2/c1-3-29-20-9-7-19-15-27(12-11-17(19)13-20)22-10-8-18(14-24-22)23(28)26-21-6-4-5-16(2)25-21/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,25,26,28)
InChIKeyIVTQRCDGEGHRJA-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.00
Rot. Bonds5

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

6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide (PubChem CID 71624698) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
PubChem CID71624698
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide
SMILESCCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2
InChIInChI=1S/C23H24N4O2/c1-3-29-20-9-7-19-15-27(12-11-17(19)13-20)22-10-8-18(14-24-22)23(28)26-21-6-4-5-16(2)25-21/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,25,26,28)
InChIKeyIVTQRCDGEGHRJA-UHFFFAOYSA-N
XLogP4.00
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of 6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide (CID 71624698) is 6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide is CCOc1ccc2c(c1)CCN(c1ccc(C(=O)Nc3cccc(C)n3)cn1)C2.
What is the InChIKey of 6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
The InChIKey is IVTQRCDGEGHRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-3-29-20-9-7-19-15-27(12-11-17(19)13-20)22-10-8-18(14-24-22)23(28)26-21-6-4-5-16(2)25-21/h4-10,13-14H,3,11-12,15H2,1-2H3,(H,25,26,28).
What are the key properties of 6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide?
6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6-ethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-N-(6-methyl-2-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 71624698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).