(5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

C19H22N4O3 — CID 97496157

About (5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one

(5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (PubChem CID 97496157) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.

Molecular Properties

• Compound Name: (5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
• PubChem CID: 97496157
• Molecular Formula: C19H22N4O3
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.17
• IUPAC Name: (5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one
• SMILES: CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1ccco1)C2
• InChI: InChI=1S/C19H22N4O3/c1-15(24)23-12-18(25)22(16-4-2-7-20-10-16)14-19(23)6-8-21(13-19)11-17-5-3-9-26-17/h2-5,7,9-10H,6,8,11-14H2,1H3/t19-/m0/s1
• InChIKey: PFYHFSGVPJFHHW-IBGZPJMESA-N
• XLogP: 1.51
• TPSA: 69.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	1.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The IUPAC name of (5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one (CID 97496157) is (5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one.

What is the SMILES notation for (5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The canonical SMILES for (5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1ccco1)C2.

What is the InChIKey of (5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

The InChIKey is PFYHFSGVPJFHHW-IBGZPJMESA-N. The full InChI is InChI=1S/C19H22N4O3/c1-15(24)23-12-18(25)22(16-4-2-7-20-10-16)14-19(23)6-8-21(13-19)11-17-5-3-9-26-17/h2-5,7,9-10H,6,8,11-14H2,1H3/t19-/m0/s1.

What are the key properties of (5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one?

(5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one has a molecular weight of 354.41 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-6-acetyl-2-(furan-2-ylmethyl)-9-pyridin-3-yl-2,6,9-triazaspiro[4.5]decan-8-one is sourced from PubChem (CID 97496157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).