N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

C24H24N2O5 — CID 78839450

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (PubChem CID 78839450) has the molecular formula C24H24N2O5 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
• PubChem CID: 78839450
• Molecular Formula: C24H24N2O5
• Molecular Weight: 420.47 g/mol
• Exact Mass: 420.17
• IUPAC Name: N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide
• SMILES: O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(Cn2ccccc2=O)o1
• InChI: InChI=1S/C24H24N2O5/c27-22-5-1-4-12-26(22)16-18-7-9-20(31-18)23(28)25-24(10-2-3-11-24)17-6-8-19-21(15-17)30-14-13-29-19/h1,4-9,12,15H,2-3,10-11,13-14,16H2,(H,25,28)
• InChIKey: NLYPXISOGWTEHR-UHFFFAOYSA-N
• XLogP: 3.46
• TPSA: 82.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	420.47
LogP ≤ 5	3.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide (CID 78839450) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide.

What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccc(Cn2ccccc2=O)o1.

What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

The InChIKey is NLYPXISOGWTEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O5/c27-22-5-1-4-12-26(22)16-18-7-9-20(31-18)23(28)25-24(10-2-3-11-24)17-6-8-19-21(15-17)30-14-13-29-19/h1,4-9,12,15H,2-3,10-11,13-14,16H2,(H,25,28).

What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide?

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-5-[(2-oxo-1-pyridinyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 78839450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).