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

C33H28N2O5 — CID 4302474

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

3,5-dimethoxy-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (PubChem CID 4302474) has the molecular formula C33H28N2O5 and a molecular weight of 532.60 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

Molecular Properties

• Compound Name: 3,5-dimethoxy-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• PubChem CID: 4302474
• Molecular Formula: C33H28N2O5
• Molecular Weight: 532.60 g/mol
• Exact Mass: 532.20
• IUPAC Name: 3,5-dimethoxy-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide
• SMILES: COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4c(o3)CCN(C(=O)c3cccc5ccccc35)C4)cc2)c1
• InChI: InChI=1S/C33H28N2O5/c1-38-26-16-23(17-27(19-26)39-2)32(36)34-25-12-10-22(11-13-25)31-18-24-20-35(15-14-30(24)40-31)33(37)29-9-5-7-21-6-3-4-8-28(21)29/h3-13,16-19H,14-15,20H2,1-2H3,(H,34,36)
• InChIKey: ZJXFCYOYTJXZFY-UHFFFAOYSA-N
• XLogP: 6.57
• TPSA: 81.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	532.60
LogP ≤ 5	6.57
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3,5-dimethoxy-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide (CID 4302474) is 3,5-dimethoxy-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide.

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

The canonical SMILES for 3,5-dimethoxy-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc4c(o3)CCN(C(=O)c3cccc5ccccc35)C4)cc2)c1.

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

The InChIKey is ZJXFCYOYTJXZFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H28N2O5/c1-38-26-16-23(17-27(19-26)39-2)32(36)34-25-12-10-22(11-13-25)31-18-24-20-35(15-14-30(24)40-31)33(37)29-9-5-7-21-6-3-4-8-28(21)29/h3-13,16-19H,14-15,20H2,1-2H3,(H,34,36).

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

3,5-dimethoxy-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide has a molecular weight of 532.60 g/mol, XLogP of 6.57, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3,5-dimethoxy-N-[4-[5-(naphthalene-1-carbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]benzamide is sourced from PubChem (CID 4302474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).