N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide

C29H35N7O4 — CID 118175329

About N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide

N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide (PubChem CID 118175329) has the molecular formula C29H35N7O4 and a molecular weight of 545.64 g/mol. Its IUPAC name is N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide
• PubChem CID: 118175329
• Molecular Formula: C29H35N7O4
• Molecular Weight: 545.64 g/mol
• Exact Mass: 545.28
• IUPAC Name: N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide
• SMILES: CCOc1ncccc1C1(NC(=O)N2CC(N3CCC(N4CCOCC4)CC3)C2)C(=O)Nc2ccc(C#N)cc21
• InChI: InChI=1S/C29H35N7O4/c1-2-40-26-23(4-3-9-31-26)29(24-16-20(17-30)5-6-25(24)32-27(29)37)33-28(38)36-18-22(19-36)34-10-7-21(8-11-34)35-12-14-39-15-13-35/h3-6,9,16,21-22H,2,7-8,10-15,18-19H2,1H3,(H,32,37)(H,33,38)
• InChIKey: VHUZOTNAOMVVPA-UHFFFAOYSA-N
• XLogP: 1.74
• TPSA: 123.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.64
LogP ≤ 5	1.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide?

The IUPAC name of N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide (CID 118175329) is N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide?

The canonical SMILES for N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide is CCOc1ncccc1C1(NC(=O)N2CC(N3CCC(N4CCOCC4)CC3)C2)C(=O)Nc2ccc(C#N)cc21.

What is the InChIKey of N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide?

The InChIKey is VHUZOTNAOMVVPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35N7O4/c1-2-40-26-23(4-3-9-31-26)29(24-16-20(17-30)5-6-25(24)32-27(29)37)33-28(38)36-18-22(19-36)34-10-7-21(8-11-34)35-12-14-39-15-13-35/h3-6,9,16,21-22H,2,7-8,10-15,18-19H2,1H3,(H,32,37)(H,33,38).

What are the key properties of N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide?

N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide has a molecular weight of 545.64 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-3-(2-ethoxy-3-pyridinyl)-2-oxo-1H-indol-3-yl]-3-(4-morpholin-4-ylpiperidin-1-yl)azetidine-1-carboxamide is sourced from PubChem (CID 118175329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).