N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide

C30H26N2O4 — CID 5240194

About N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide

N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide (PubChem CID 5240194) has the molecular formula C30H26N2O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide.

Molecular Properties

• Compound Name: N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide
• PubChem CID: 5240194
• Molecular Formula: C30H26N2O4
• Molecular Weight: 478.55 g/mol
• Exact Mass: 478.19
• IUPAC Name: N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide
• SMILES: COc1ccc(C(=O)N2CCc3oc(-c4ccc(NC(=O)C=Cc5ccccc5)cc4)cc3C2)cc1
• InChI: InChI=1S/C30H26N2O4/c1-35-26-14-10-23(11-15-26)30(34)32-18-17-27-24(20-32)19-28(36-27)22-8-12-25(13-9-22)31-29(33)16-7-21-5-3-2-4-6-21/h2-16,19H,17-18,20H2,1H3,(H,31,33)
• InChIKey: QBIVYHHZNXBCES-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	478.55
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide?

The IUPAC name of N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide (CID 5240194) is N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide.

What is the SMILES notation for N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide?

The canonical SMILES for N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide is COc1ccc(C(=O)N2CCc3oc(-c4ccc(NC(=O)C=Cc5ccccc5)cc4)cc3C2)cc1.

What is the InChIKey of N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide?

The InChIKey is QBIVYHHZNXBCES-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N2O4/c1-35-26-14-10-23(11-15-26)30(34)32-18-17-27-24(20-32)19-28(36-27)22-8-12-25(13-9-22)31-29(33)16-7-21-5-3-2-4-6-21/h2-16,19H,17-18,20H2,1H3,(H,31,33).

What are the key properties of N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide?

N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide has a molecular weight of 478.55 g/mol, XLogP of 5.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(4-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]-3-phenylprop-2-enamide is sourced from PubChem (CID 5240194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).