2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C21H30N4O2 — CID 70742647

About 2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 70742647) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
• PubChem CID: 70742647
• Molecular Formula: C21H30N4O2
• Molecular Weight: 370.50 g/mol
• Exact Mass: 370.24
• IUPAC Name: 2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
• SMILES: CC(C)N1CC2(CCCN(c3nc4c(cc3C(N)=O)CCC4)C2)CCC1=O
• InChI: InChI=1S/C21H30N4O2/c1-14(2)25-13-21(9-7-18(25)26)8-4-10-24(12-21)20-16(19(22)27)11-15-5-3-6-17(15)23-20/h11,14H,3-10,12-13H2,1-2H3,(H2,22,27)
• InChIKey: OVBMBAYLHXRAKX-UHFFFAOYSA-N
• XLogP: 2.29
• TPSA: 79.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	370.50
LogP ≤ 5	2.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The IUPAC name of 2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 70742647) is 2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

What is the SMILES notation for 2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The canonical SMILES for 2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is CC(C)N1CC2(CCCN(c3nc4c(cc3C(N)=O)CCC4)C2)CCC1=O.

What is the InChIKey of 2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

The InChIKey is OVBMBAYLHXRAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14(2)25-13-21(9-7-18(25)26)8-4-10-24(12-21)20-16(19(22)27)11-15-5-3-6-17(15)23-20/h11,14H,3-10,12-13H2,1-2H3,(H2,22,27).

What are the key properties of 2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?

2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3-oxo-2-propan-2-yl-2,8-diazaspiro[5.5]undecan-8-yl)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 70742647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).