N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide

C27H25N3O4 — CID 70804278

About N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide

N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide (PubChem CID 70804278) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide
• PubChem CID: 70804278
• Molecular Formula: C27H25N3O4
• Molecular Weight: 455.51 g/mol
• Exact Mass: 455.18
• IUPAC Name: N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide
• SMILES: COc1ccc(CCOc2cccc(-c3cccc(NC(=O)c4cccnc4)c3)n2)cc1OC
• InChI: InChI=1S/C27H25N3O4/c1-32-24-12-11-19(16-25(24)33-2)13-15-34-26-10-4-9-23(30-26)20-6-3-8-22(17-20)29-27(31)21-7-5-14-28-18-21/h3-12,14,16-18H,13,15H2,1-2H3,(H,29,31)
• InChIKey: MYCAMWXHCPSUGH-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 82.57 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.51
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide (CID 70804278) is N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide is COc1ccc(CCOc2cccc(-c3cccc(NC(=O)c4cccnc4)c3)n2)cc1OC.

What is the InChIKey of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide?

The InChIKey is MYCAMWXHCPSUGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-32-24-12-11-19(16-25(24)33-2)13-15-34-26-10-4-9-23(30-26)20-6-3-8-22(17-20)29-27(31)21-7-5-14-28-18-21/h3-12,14,16-18H,13,15H2,1-2H3,(H,29,31).

What are the key properties of N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide?

N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide has a molecular weight of 455.51 g/mol, XLogP of 5.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[6-[2-(3,4-dimethoxyphenyl)ethoxy]-2-pyridinyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 70804278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).