N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide

C31H35FN4O3 — CID 3197349

About N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide

N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide (PubChem CID 3197349) has the molecular formula C31H35FN4O3 and a molecular weight of 530.64 g/mol. Its IUPAC name is N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide.

Molecular Properties

• Compound Name: N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide
• PubChem CID: 3197349
• Molecular Formula: C31H35FN4O3
• Molecular Weight: 530.64 g/mol
• Exact Mass: 530.27
• IUPAC Name: N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide
• SMILES: CCc1ccc(N(C(=O)CCCC(=O)Nc2ccccn2)C(C(=O)NC2CCCC2)c2ccc(F)cc2)cc1
• InChI: InChI=1S/C31H35FN4O3/c1-2-22-13-19-26(20-14-22)36(29(38)12-7-11-28(37)35-27-10-5-6-21-33-27)30(23-15-17-24(32)18-16-23)31(39)34-25-8-3-4-9-25/h5-6,10,13-21,25,30H,2-4,7-9,11-12H2,1H3,(H,34,39)(H,33,35,37)
• InChIKey: QHKSMNATNKXVKS-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 91.40 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.64
LogP ≤ 5	5.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide?

The IUPAC name of N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide (CID 3197349) is N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide.

What is the SMILES notation for N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide?

The canonical SMILES for N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide is CCc1ccc(N(C(=O)CCCC(=O)Nc2ccccn2)C(C(=O)NC2CCCC2)c2ccc(F)cc2)cc1.

What is the InChIKey of N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide?

The InChIKey is QHKSMNATNKXVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35FN4O3/c1-2-22-13-19-26(20-14-22)36(29(38)12-7-11-28(37)35-27-10-5-6-21-33-27)30(23-15-17-24(32)18-16-23)31(39)34-25-8-3-4-9-25/h5-6,10,13-21,25,30H,2-4,7-9,11-12H2,1H3,(H,34,39)(H,33,35,37).

What are the key properties of N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide?

N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide has a molecular weight of 530.64 g/mol, XLogP of 5.73, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N'-[2-(cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl]-N'-(4-ethylphenyl)-N-pyridin-2-ylpentanediamide is sourced from PubChem (CID 3197349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).