N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

C26H24FN3O6 — CID 90061868

About N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide

N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (PubChem CID 90061868) has the molecular formula C26H24FN3O6 and a molecular weight of 493.49 g/mol. Its IUPAC name is N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

Molecular Properties

• Compound Name: N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
• PubChem CID: 90061868
• Molecular Formula: C26H24FN3O6
• Molecular Weight: 493.49 g/mol
• Exact Mass: 493.16
• IUPAC Name: N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide
• SMILES: COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3c[nH]c4c(F)cccc34)n2)ccc1OCCO
• InChI: InChI=1S/C26H24FN3O6/c1-34-22-9-7-19(30-25(22)17-13-28-24-16(17)4-3-5-18(24)27)20(32)14-29-26(33)15-6-8-21(36-11-10-31)23(12-15)35-2/h3-9,12-13,28,31H,10-11,14H2,1-2H3,(H,29,33)
• InChIKey: XJVSOLOGYPMJAP-UHFFFAOYSA-N
• XLogP: 3.37
• TPSA: 122.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.49
LogP ≤ 5	3.37
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

The IUPAC name of N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide (CID 90061868) is N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide.

What is the SMILES notation for N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

The canonical SMILES for N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3c[nH]c4c(F)cccc34)n2)ccc1OCCO.

What is the InChIKey of N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

The InChIKey is XJVSOLOGYPMJAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O6/c1-34-22-9-7-19(30-25(22)17-13-28-24-16(17)4-3-5-18(24)27)20(32)14-29-26(33)15-6-8-21(36-11-10-31)23(12-15)35-2/h3-9,12-13,28,31H,10-11,14H2,1-2H3,(H,29,33).

What are the key properties of N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide?

N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide has a molecular weight of 493.49 g/mol, XLogP of 3.37, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[6-(7-fluoro-1H-indol-3-yl)-5-methoxy-2-pyridinyl]-2-oxoethyl]-4-(2-hydroxyethoxy)-3-methoxybenzamide is sourced from PubChem (CID 90061868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).