N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide

C23H24N4O3 — CID 131671952

About N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide

N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide (PubChem CID 131671952) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide
• PubChem CID: 131671952
• Molecular Formula: C23H24N4O3
• Molecular Weight: 404.47 g/mol
• Exact Mass: 404.18
• IUPAC Name: N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide
• SMILES: O=C(NCCC1CCOC12CN(C(=O)c1cc3ccccc3[nH]1)C2)c1ccncc1
• InChI: InChI=1S/C23H24N4O3/c28-21(16-5-9-24-10-6-16)25-11-7-18-8-12-30-23(18)14-27(15-23)22(29)20-13-17-3-1-2-4-19(17)26-20/h1-6,9-10,13,18,26H,7-8,11-12,14-15H2,(H,25,28)
• InChIKey: ZTJJALNDEDISHQ-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 87.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	404.47
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide?

The IUPAC name of N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide (CID 131671952) is N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide.

What is the SMILES notation for N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide?

The canonical SMILES for N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide is O=C(NCCC1CCOC12CN(C(=O)c1cc3ccccc3[nH]1)C2)c1ccncc1.

What is the InChIKey of N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide?

The InChIKey is ZTJJALNDEDISHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c28-21(16-5-9-24-10-6-16)25-11-7-18-8-12-30-23(18)14-27(15-23)22(29)20-13-17-3-1-2-4-19(17)26-20/h1-6,9-10,13,18,26H,7-8,11-12,14-15H2,(H,25,28).

What are the key properties of N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide?

N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 2.61, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(1H-indole-2-carbonyl)-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 131671952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).