N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide

C31H33FN4O3 — CID 3434027

About N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide

N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide (PubChem CID 3434027) has the molecular formula C31H33FN4O3 and a molecular weight of 528.63 g/mol. Its IUPAC name is N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
• PubChem CID: 3434027
• Molecular Formula: C31H33FN4O3
• Molecular Weight: 528.63 g/mol
• Exact Mass: 528.25
• IUPAC Name: N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide
• SMILES: CCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)CC1
• InChI: InChI=1S/C31H33FN4O3/c1-3-39-28-7-5-4-6-22(28)18-34-31(38)25-10-8-20(2)35-30(25)21-12-14-36(15-13-21)29(37)16-23-19-33-27-11-9-24(32)17-26(23)27/h4-11,17,19,21,33H,3,12-16,18H2,1-2H3,(H,34,38)
• InChIKey: NZCJXSZKIDKTNB-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	528.63
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?

The IUPAC name of N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide (CID 3434027) is N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?

The canonical SMILES for N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide is CCOc1ccccc1CNC(=O)c1ccc(C)nc1C1CCN(C(=O)Cc2c[nH]c3ccc(F)cc23)CC1.

What is the InChIKey of N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?

The InChIKey is NZCJXSZKIDKTNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33FN4O3/c1-3-39-28-7-5-4-6-22(28)18-34-31(38)25-10-8-20(2)35-30(25)21-12-14-36(15-13-21)29(37)16-23-19-33-27-11-9-24(32)17-26(23)27/h4-11,17,19,21,33H,3,12-16,18H2,1-2H3,(H,34,38).

What are the key properties of N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide?

N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide has a molecular weight of 528.63 g/mol, XLogP of 5.29, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2-ethoxyphenyl)methyl]-2-[1-[2-(5-fluoro-1H-indol-3-yl)acetyl]piperidin-4-yl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 3434027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).