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

C25H22N2O5 — CID 3576803

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

N-[4-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclopropanecarboxamide (PubChem CID 3576803) has the molecular formula C25H22N2O5 and a molecular weight of 430.46 g/mol. Its IUPAC name is N-[4-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclopropanecarboxamide
• PubChem CID: 3576803
• Molecular Formula: C25H22N2O5
• Molecular Weight: 430.46 g/mol
• Exact Mass: 430.15
• IUPAC Name: N-[4-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclopropanecarboxamide
• SMILES: O=C(Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2ccc4c(c2)OCO4)C3)cc1)C1CC1
• InChI: InChI=1S/C25H22N2O5/c28-24(16-1-2-16)26-19-6-3-15(4-7-19)22-12-18-13-27(10-9-20(18)32-22)25(29)17-5-8-21-23(11-17)31-14-30-21/h3-8,11-12,16H,1-2,9-10,13-14H2,(H,26,28)
• InChIKey: LYGNWOJTAXEONE-UHFFFAOYSA-N
• XLogP: 4.22
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.46
LogP ≤ 5	4.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[4-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclopropanecarboxamide (CID 3576803) is N-[4-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[4-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclopropanecarboxamide is O=C(Nc1ccc(-c2cc3c(o2)CCN(C(=O)c2ccc4c(c2)OCO4)C3)cc1)C1CC1.

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

The InChIKey is LYGNWOJTAXEONE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O5/c28-24(16-1-2-16)26-19-6-3-15(4-7-19)22-12-18-13-27(10-9-20(18)32-22)25(29)17-5-8-21-23(11-17)31-14-30-21/h3-8,11-12,16H,1-2,9-10,13-14H2,(H,26,28).

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

N-[4-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclopropanecarboxamide has a molecular weight of 430.46 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(1,3-benzodioxole-5-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 3576803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).