5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide

C41H35N7O4 — CID 123645654

About 5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide

5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide (PubChem CID 123645654) has the molecular formula C41H35N7O4 and a molecular weight of 689.78 g/mol. Its IUPAC name is 5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide.

Molecular Properties

• Compound Name: 5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide
• PubChem CID: 123645654
• Molecular Formula: C41H35N7O4
• Molecular Weight: 689.78 g/mol
• Exact Mass: 689.28
• IUPAC Name: 5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide
• SMILES: COCCNC(=O)c1ccc2cncc(-c3ccc(-c4ncc(-c5ccc(OC)cc5)c5nc(C(=O)NCCc6ccccc6)ccc45)nc3)c2n1
• InChI: InChI=1S/C41H35N7O4/c1-51-21-20-44-41(50)35-16-11-29-22-42-24-32(37(29)47-35)28-10-15-34(45-23-28)39-31-14-17-36(40(49)43-19-18-26-6-4-3-5-7-26)48-38(31)33(25-46-39)27-8-12-30(52-2)13-9-27/h3-17,22-25H,18-21H2,1-2H3,(H,43,49)(H,44,50)
• InChIKey: GJCOXSNAXNUSSF-UHFFFAOYSA-N
• XLogP: 6.33
• TPSA: 141.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 12
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	689.78
LogP ≤ 5	6.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide?

The IUPAC name of 5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide (CID 123645654) is 5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide.

What is the SMILES notation for 5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide?

The canonical SMILES for 5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide is COCCNC(=O)c1ccc2cncc(-c3ccc(-c4ncc(-c5ccc(OC)cc5)c5nc(C(=O)NCCc6ccccc6)ccc45)nc3)c2n1.

What is the InChIKey of 5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide?

The InChIKey is GJCOXSNAXNUSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H35N7O4/c1-51-21-20-44-41(50)35-16-11-29-22-42-24-32(37(29)47-35)28-10-15-34(45-23-28)39-31-14-17-36(40(49)43-19-18-26-6-4-3-5-7-26)48-38(31)33(25-46-39)27-8-12-30(52-2)13-9-27/h3-17,22-25H,18-21H2,1-2H3,(H,43,49)(H,44,50).

What are the key properties of 5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide?

5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide has a molecular weight of 689.78 g/mol, XLogP of 6.33, 12 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-[2-(2-methoxyethylcarbamoyl)-1,6-naphthyridin-8-yl]-2-pyridinyl]-8-(4-methoxyphenyl)-N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 123645654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).