N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide

C33H37N3O5 — CID 139462366

About N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide

N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide (PubChem CID 139462366) has the molecular formula C33H37N3O5 and a molecular weight of 555.68 g/mol. Its IUPAC name is N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide.

Molecular Properties

• Compound Name: N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide
• PubChem CID: 139462366
• Molecular Formula: C33H37N3O5
• Molecular Weight: 555.68 g/mol
• Exact Mass: 555.27
• IUPAC Name: N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide
• SMILES: Cc1cc(OCC2CCCN2C)c2oc3cc(Oc4ccc(CCC(=O)NC5CCCC5)nc4)ccc3c(=O)c2c1
• InChI: InChI=1S/C33H37N3O5/c1-21-16-28-32(38)27-13-12-25(18-29(27)41-33(28)30(17-21)39-20-24-8-5-15-36(24)2)40-26-11-9-22(34-19-26)10-14-31(37)35-23-6-3-4-7-23/h9,11-13,16-19,23-24H,3-8,10,14-15,20H2,1-2H3,(H,35,37)
• InChIKey: PIFYQUSHIAJPQO-UHFFFAOYSA-N
• XLogP: 5.91
• TPSA: 93.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	555.68
LogP ≤ 5	5.91
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide?

The IUPAC name of N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide (CID 139462366) is N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide.

What is the SMILES notation for N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide?

The canonical SMILES for N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide is Cc1cc(OCC2CCCN2C)c2oc3cc(Oc4ccc(CCC(=O)NC5CCCC5)nc4)ccc3c(=O)c2c1.

What is the InChIKey of N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide?

The InChIKey is PIFYQUSHIAJPQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37N3O5/c1-21-16-28-32(38)27-13-12-25(18-29(27)41-33(28)30(17-21)39-20-24-8-5-15-36(24)2)40-26-11-9-22(34-19-26)10-14-31(37)35-23-6-3-4-7-23/h9,11-13,16-19,23-24H,3-8,10,14-15,20H2,1-2H3,(H,35,37).

What are the key properties of N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide?

N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide has a molecular weight of 555.68 g/mol, XLogP of 5.91, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopentyl-3-[5-[7-methyl-5-[(1-methylpyrrolidin-2-yl)methoxy]-9-oxoxanthen-3-yl]oxy-2-pyridinyl]propanamide is sourced from PubChem (CID 139462366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).