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

C28H30N2O4 — CID 42785134

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

N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide (PubChem CID 42785134) has the molecular formula C28H30N2O4 and a molecular weight of 458.56 g/mol. Its IUPAC name is N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide.

Molecular Properties

• Compound Name: N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide
• PubChem CID: 42785134
• Molecular Formula: C28H30N2O4
• Molecular Weight: 458.56 g/mol
• Exact Mass: 458.22
• IUPAC Name: N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide
• SMILES: COc1cccc(C(=O)N2CCc3oc(-c4ccc(NC(=O)C5CCCCC5)cc4)cc3C2)c1
• InChI: InChI=1S/C28H30N2O4/c1-33-24-9-5-8-21(16-24)28(32)30-15-14-25-22(18-30)17-26(34-25)19-10-12-23(13-11-19)29-27(31)20-6-3-2-4-7-20/h5,8-13,16-17,20H,2-4,6-7,14-15,18H2,1H3,(H,29,31)
• InChIKey: KZRYIPYANWIGPC-UHFFFAOYSA-N
• XLogP: 5.67
• TPSA: 71.78 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	458.56
LogP ≤ 5	5.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide (CID 42785134) is N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide.

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

The canonical SMILES for N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide is COc1cccc(C(=O)N2CCc3oc(-c4ccc(NC(=O)C5CCCCC5)cc4)cc3C2)c1.

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

The InChIKey is KZRYIPYANWIGPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N2O4/c1-33-24-9-5-8-21(16-24)28(32)30-15-14-25-22(18-30)17-26(34-25)19-10-12-23(13-11-19)29-27(31)20-6-3-2-4-7-20/h5,8-13,16-17,20H,2-4,6-7,14-15,18H2,1H3,(H,29,31).

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

N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide has a molecular weight of 458.56 g/mol, XLogP of 5.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[5-(3-methoxybenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclohexanecarboxamide is sourced from PubChem (CID 42785134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).