N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

C26H31N5O5 — CID 5102434

About N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide

N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide (PubChem CID 5102434) has the molecular formula C26H31N5O5 and a molecular weight of 493.56 g/mol. Its IUPAC name is N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
• PubChem CID: 5102434
• Molecular Formula: C26H31N5O5
• Molecular Weight: 493.56 g/mol
• Exact Mass: 493.23
• IUPAC Name: N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide
• SMILES: CN1C(=O)CC(C(=O)N2CCC3(CCN(C(=O)CNC(=O)c4ccco4)CC3)C2)C1c1cccnc1
• InChI: InChI=1S/C26H31N5O5/c1-29-21(32)14-19(23(29)18-4-2-9-27-15-18)25(35)31-12-8-26(17-31)6-10-30(11-7-26)22(33)16-28-24(34)20-5-3-13-36-20/h2-5,9,13,15,19,23H,6-8,10-12,14,16-17H2,1H3,(H,28,34)
• InChIKey: HTNMBUMETYZSRV-UHFFFAOYSA-N
• XLogP: 1.47
• TPSA: 116.06 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.56
LogP ≤ 5	1.47
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The IUPAC name of N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide (CID 5102434) is N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide.

What is the SMILES notation for N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The canonical SMILES for N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide is CN1C(=O)CC(C(=O)N2CCC3(CCN(C(=O)CNC(=O)c4ccco4)CC3)C2)C1c1cccnc1.

What is the InChIKey of N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

The InChIKey is HTNMBUMETYZSRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O5/c1-29-21(32)14-19(23(29)18-4-2-9-27-15-18)25(35)31-12-8-26(17-31)6-10-30(11-7-26)22(33)16-28-24(34)20-5-3-13-36-20/h2-5,9,13,15,19,23H,6-8,10-12,14,16-17H2,1H3,(H,28,34).

What are the key properties of N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide?

N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide has a molecular weight of 493.56 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[2-(1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carbonyl)-2,8-diazaspiro[4.5]decan-8-yl]-2-oxoethyl]furan-2-carboxamide is sourced from PubChem (CID 5102434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).