[2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate

C31H34N4O7 — CID 139462460

About [2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate

[2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate (PubChem CID 139462460) has the molecular formula C31H34N4O7 and a molecular weight of 574.63 g/mol. Its IUPAC name is [2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate.

Molecular Properties

• Compound Name: [2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate
• PubChem CID: 139462460
• Molecular Formula: C31H34N4O7
• Molecular Weight: 574.63 g/mol
• Exact Mass: 574.24
• IUPAC Name: [2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate
• SMILES: Cc1cc(OCCN(C)C)c2oc3cc(Oc4ccc(NC(=O)OCC(=O)NC5CCCC5)nc4)ccc3c(=O)c2c1
• InChI: InChI=1S/C31H34N4O7/c1-19-14-24-29(37)23-10-8-21(16-25(23)42-30(24)26(15-19)39-13-12-35(2)3)41-22-9-11-27(32-17-22)34-31(38)40-18-28(36)33-20-6-4-5-7-20/h8-11,14-17,20H,4-7,12-13,18H2,1-3H3,(H,33,36)(H,32,34,38)
• InChIKey: OLEVSZAHMLUKDW-UHFFFAOYSA-N
• XLogP: 4.99
• TPSA: 132.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	574.63
LogP ≤ 5	4.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate?

The IUPAC name of [2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate (CID 139462460) is [2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate.

What is the SMILES notation for [2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate?

The canonical SMILES for [2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate is Cc1cc(OCCN(C)C)c2oc3cc(Oc4ccc(NC(=O)OCC(=O)NC5CCCC5)nc4)ccc3c(=O)c2c1.

What is the InChIKey of [2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate?

The InChIKey is OLEVSZAHMLUKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H34N4O7/c1-19-14-24-29(37)23-10-8-21(16-25(23)42-30(24)26(15-19)39-13-12-35(2)3)41-22-9-11-27(32-17-22)34-31(38)40-18-28(36)33-20-6-4-5-7-20/h8-11,14-17,20H,4-7,12-13,18H2,1-3H3,(H,33,36)(H,32,34,38).

What are the key properties of [2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate?

[2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate has a molecular weight of 574.63 g/mol, XLogP of 4.99, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [2-(cyclopentylamino)-2-oxoethyl] N-[5-[5-[2-(dimethylamino)ethoxy]-7-methyl-9-oxoxanthen-3-yl]oxy-2-pyridinyl]carbamate is sourced from PubChem (CID 139462460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).