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

C29H32N2O3 — CID 42784489

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

3-cyclopentyl-N-[3-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide (PubChem CID 42784489) has the molecular formula C29H32N2O3 and a molecular weight of 456.59 g/mol. Its IUPAC name is 3-cyclopentyl-N-[3-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide.

Molecular Properties

• Compound Name: 3-cyclopentyl-N-[3-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide
• PubChem CID: 42784489
• Molecular Formula: C29H32N2O3
• Molecular Weight: 456.59 g/mol
• Exact Mass: 456.24
• IUPAC Name: 3-cyclopentyl-N-[3-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide
• SMILES: Cc1cccc(C(=O)N2CCc3oc(-c4cccc(NC(=O)CCC5CCCC5)c4)cc3C2)c1
• InChI: InChI=1S/C29H32N2O3/c1-20-6-4-10-23(16-20)29(33)31-15-14-26-24(19-31)18-27(34-26)22-9-5-11-25(17-22)30-28(32)13-12-21-7-2-3-8-21/h4-6,9-11,16-18,21H,2-3,7-8,12-15,19H2,1H3,(H,30,32)
• InChIKey: FUUPOHIYAHOSNG-UHFFFAOYSA-N
• XLogP: 6.36
• TPSA: 62.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	456.59
LogP ≤ 5	6.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of 3-cyclopentyl-N-[3-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide (CID 42784489) is 3-cyclopentyl-N-[3-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide.

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

The canonical SMILES for 3-cyclopentyl-N-[3-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide is Cc1cccc(C(=O)N2CCc3oc(-c4cccc(NC(=O)CCC5CCCC5)c4)cc3C2)c1.

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

The InChIKey is FUUPOHIYAHOSNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N2O3/c1-20-6-4-10-23(16-20)29(33)31-15-14-26-24(19-31)18-27(34-26)22-9-5-11-25(17-22)30-28(32)13-12-21-7-2-3-8-21/h4-6,9-11,16-18,21H,2-3,7-8,12-15,19H2,1H3,(H,30,32).

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

3-cyclopentyl-N-[3-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide has a molecular weight of 456.59 g/mol, XLogP of 6.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclopentyl-N-[3-[5-(3-methylbenzoyl)-6,7-dihydro-4H-furo[3,2-c]pyridin-2-yl]phenyl]propanamide is sourced from PubChem (CID 42784489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).