N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide

C30H26N2O5 — CID 3553046

About N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide

N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide (PubChem CID 3553046) has the molecular formula C30H26N2O5 and a molecular weight of 494.55 g/mol. Its IUPAC name is N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide.

Molecular Properties

• Compound Name: N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide
• PubChem CID: 3553046
• Molecular Formula: C30H26N2O5
• Molecular Weight: 494.55 g/mol
• Exact Mass: 494.18
• IUPAC Name: N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide
• SMILES: CCc1ccc(C(=O)Nc2cccc(-c3cc4c(o3)CCN(C(=O)c3ccc5c(c3)OCO5)C4)c2)cc1
• InChI: InChI=1S/C30H26N2O5/c1-2-19-6-8-20(9-7-19)29(33)31-24-5-3-4-21(14-24)27-16-23-17-32(13-12-25(23)37-27)30(34)22-10-11-26-28(15-22)36-18-35-26/h3-11,14-16H,2,12-13,17-18H2,1H3,(H,31,33)
• InChIKey: RCPXRULUFDNDID-UHFFFAOYSA-N
• XLogP: 5.69
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	494.55
LogP ≤ 5	5.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide?

The IUPAC name of N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide (CID 3553046) is N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide.

What is the SMILES notation for N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide?

The canonical SMILES for N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide is CCc1ccc(C(=O)Nc2cccc(-c3cc4c(o3)CCN(C(=O)c3ccc5c(c3)OCO5)C4)c2)cc1.

What is the InChIKey of N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide?

The InChIKey is RCPXRULUFDNDID-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O5/c1-2-19-6-8-20(9-7-19)29(33)31-24-5-3-4-21(14-24)27-16-23-17-32(13-12-25(23)37-27)30(34)22-10-11-26-28(15-22)36-18-35-26/h3-11,14-16H,2,12-13,17-18H2,1H3,(H,31,33).

What are the key properties of N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide?

N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide has a molecular weight of 494.55 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-4-ethylbenzamide is sourced from PubChem (CID 3553046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).