8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

C21H24F2N4O — CID 72849597

About 8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one

8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (PubChem CID 72849597) has the molecular formula C21H24F2N4O and a molecular weight of 386.45 g/mol. Its IUPAC name is 8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

Molecular Properties

• Compound Name: 8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• PubChem CID: 72849597
• Molecular Formula: C21H24F2N4O
• Molecular Weight: 386.45 g/mol
• Exact Mass: 386.19
• IUPAC Name: 8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
• SMILES: Nc1ncccc1CN1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2
• InChI: InChI=1S/C21H24F2N4O/c22-17-8-15(9-18(23)10-17)12-27-14-21(11-19(27)28)3-6-26(7-4-21)13-16-2-1-5-25-20(16)24/h1-2,5,8-10H,3-4,6-7,11-14H2,(H2,24,25)
• InChIKey: YDAVYEXLTNHMMQ-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 62.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.45
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?

The IUPAC name of 8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one (CID 72849597) is 8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one.

What is the SMILES notation for 8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?

The canonical SMILES for 8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is Nc1ncccc1CN1CCC2(CC1)CC(=O)N(Cc1cc(F)cc(F)c1)C2.

What is the InChIKey of 8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?

The InChIKey is YDAVYEXLTNHMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O/c22-17-8-15(9-18(23)10-17)12-27-14-21(11-19(27)28)3-6-26(7-4-21)13-16-2-1-5-25-20(16)24/h1-2,5,8-10H,3-4,6-7,11-14H2,(H2,24,25).

What are the key properties of 8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one?

8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one has a molecular weight of 386.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[(2-amino-3-pyridinyl)methyl]-2-[(3,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one is sourced from PubChem (CID 72849597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).