3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile

C23H26N4O2 — CID 155874159

About 3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile

3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile (PubChem CID 155874159) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile.

Molecular Properties

• Compound Name: 3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile
• PubChem CID: 155874159
• Molecular Formula: C23H26N4O2
• Molecular Weight: 390.49 g/mol
• Exact Mass: 390.21
• IUPAC Name: 3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile
• SMILES: Cc1ccc(C(=O)N2CCCC3(COCCN(c4cccc(C#N)c4)C3)C2)cn1
• InChI: InChI=1S/C23H26N4O2/c1-18-6-7-20(14-25-18)22(28)27-9-3-8-23(16-27)15-26(10-11-29-17-23)21-5-2-4-19(12-21)13-24/h2,4-7,12,14H,3,8-11,15-17H2,1H3
• InChIKey: YCKHZCMTJRUZHZ-UHFFFAOYSA-N
• XLogP: 3.02
• TPSA: 69.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 2
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.49
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile?

The IUPAC name of 3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile (CID 155874159) is 3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile.

What is the SMILES notation for 3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile?

The canonical SMILES for 3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile is Cc1ccc(C(=O)N2CCCC3(COCCN(c4cccc(C#N)c4)C3)C2)cn1.

What is the InChIKey of 3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile?

The InChIKey is YCKHZCMTJRUZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-18-6-7-20(14-25-18)22(28)27-9-3-8-23(16-27)15-26(10-11-29-17-23)21-5-2-4-19(12-21)13-24/h2,4-7,12,14H,3,8-11,15-17H2,1H3.

What are the key properties of 3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile?

3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile has a molecular weight of 390.49 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[2-(6-methylpyridine-3-carbonyl)-8-oxa-2,11-diazaspiro[5.6]dodecan-11-yl]benzonitrile is sourced from PubChem (CID 155874159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).