2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile

C20H24N6O — CID 72883632

About 2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile

2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile (PubChem CID 72883632) has the molecular formula C20H24N6O and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile.

Molecular Properties

• Compound Name: 2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile
• PubChem CID: 72883632
• Molecular Formula: C20H24N6O
• Molecular Weight: 364.45 g/mol
• Exact Mass: 364.20
• IUPAC Name: 2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile
• SMILES: N#Cc1ccnc(N2CCCC3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)c1
• InChI: InChI=1S/C20H24N6O/c21-11-16-3-7-23-18(10-16)25-8-1-5-20(13-25)6-2-19(27)26(14-20)9-4-17-12-22-15-24-17/h3,7,10,12,15H,1-2,4-6,8-9,13-14H2,(H,22,24)
• InChIKey: LOVKNUVJUZXYRH-UHFFFAOYSA-N
• XLogP: 2.13
• TPSA: 88.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.45
LogP ≤ 5	2.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile?

The IUPAC name of 2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile (CID 72883632) is 2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile.

What is the SMILES notation for 2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile?

The canonical SMILES for 2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile is N#Cc1ccnc(N2CCCC3(CCC(=O)N(CCc4cnc[nH]4)C3)C2)c1.

What is the InChIKey of 2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile?

The InChIKey is LOVKNUVJUZXYRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6O/c21-11-16-3-7-23-18(10-16)25-8-1-5-20(13-25)6-2-19(27)26(14-20)9-4-17-12-22-15-24-17/h3,7,10,12,15H,1-2,4-6,8-9,13-14H2,(H,22,24).

What are the key properties of 2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile?

2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile has a molecular weight of 364.45 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-(1H-imidazol-5-yl)ethyl]-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]pyridine-4-carbonitrile is sourced from PubChem (CID 72883632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).