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

C32H26N2O3 — CID 4113616

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

N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide (PubChem CID 4113616) has the molecular formula C32H26N2O3 and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide
• PubChem CID: 4113616
• Molecular Formula: C32H26N2O3
• Molecular Weight: 486.57 g/mol
• Exact Mass: 486.19
• IUPAC Name: N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide
• SMILES: Cc1ccc(C(=O)N2CCc3oc(-c4cccc(NC(=O)c5cccc6ccccc56)c4)cc3C2)cc1
• InChI: InChI=1S/C32H26N2O3/c1-21-12-14-23(15-13-21)32(36)34-17-16-29-25(20-34)19-30(37-29)24-8-4-9-26(18-24)33-31(35)28-11-5-7-22-6-2-3-10-27(22)28/h2-15,18-19H,16-17,20H2,1H3,(H,33,35)
• InChIKey: NOPREPCXHPXWFJ-UHFFFAOYSA-N
• XLogP: 6.86
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.57
LogP ≤ 5	6.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide (CID 4113616) is N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide.

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

The canonical SMILES for N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide is Cc1ccc(C(=O)N2CCc3oc(-c4cccc(NC(=O)c5cccc6ccccc56)c4)cc3C2)cc1.

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

The InChIKey is NOPREPCXHPXWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26N2O3/c1-21-12-14-23(15-13-21)32(36)34-17-16-29-25(20-34)19-30(37-29)24-8-4-9-26(18-24)33-31(35)28-11-5-7-22-6-2-3-10-27(22)28/h2-15,18-19H,16-17,20H2,1H3,(H,33,35).

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

N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 6.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(4-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 4113616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).