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

C25H30N2O3 — CID 4195188

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

N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclobutanecarboxamide (PubChem CID 4195188) has the molecular formula C25H30N2O3 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclobutanecarboxamide.

Molecular Properties

• Compound Name: N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclobutanecarboxamide
• PubChem CID: 4195188
• Molecular Formula: C25H30N2O3
• Molecular Weight: 406.53 g/mol
• Exact Mass: 406.23
• IUPAC Name: N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclobutanecarboxamide
• SMILES: O=C(Nc1cccc(-c2cc3c(o2)CCN(C(=O)C2CCCCC2)C3)c1)C1CCC1
• InChI: InChI=1S/C25H30N2O3/c28-24(17-8-4-9-17)26-21-11-5-10-19(14-21)23-15-20-16-27(13-12-22(20)30-23)25(29)18-6-2-1-3-7-18/h5,10-11,14-15,17-18H,1-4,6-9,12-13,16H2,(H,26,28)
• InChIKey: XWPATNPEBYRVQF-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	406.53
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclobutanecarboxamide (CID 4195188) is N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclobutanecarboxamide.

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

The canonical SMILES for N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclobutanecarboxamide is O=C(Nc1cccc(-c2cc3c(o2)CCN(C(=O)C2CCCCC2)C3)c1)C1CCC1.

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

The InChIKey is XWPATNPEBYRVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O3/c28-24(17-8-4-9-17)26-21-11-5-10-19(14-21)23-15-20-16-27(13-12-22(20)30-23)25(29)18-6-2-1-3-7-18/h5,10-11,14-15,17-18H,1-4,6-9,12-13,16H2,(H,26,28).

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

N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclobutanecarboxamide has a molecular weight of 406.53 g/mol, XLogP of 5.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[5-(cyclohexanecarbonyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]cyclobutanecarboxamide is sourced from PubChem (CID 4195188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).