N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide

C29H32FN5O3 — CID 156906789

About N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide

N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 156906789) has the molecular formula C29H32FN5O3 and a molecular weight of 517.61 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide
• PubChem CID: 156906789
• Molecular Formula: C29H32FN5O3
• Molecular Weight: 517.61 g/mol
• Exact Mass: 517.25
• IUPAC Name: N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide
• SMILES: CC(C)(C)c1ccc(N(C(=O)C2CNC(=O)N2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1
• InChI: InChI=1S/C29H32FN5O3/c1-29(2,3)21-9-11-23(12-10-21)35(27(37)24-18-33-28(38)34-24)25(20-7-5-14-31-17-20)26(36)32-15-13-19-6-4-8-22(30)16-19/h4-12,14,16-17,24-25H,13,15,18H2,1-3H3,(H,32,36)(H2,33,34,38)
• InChIKey: IAWKWBWYYGNQQZ-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 103.43 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.61
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide?

The IUPAC name of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide (CID 156906789) is N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide.

What is the SMILES notation for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide?

The canonical SMILES for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide is CC(C)(C)c1ccc(N(C(=O)C2CNC(=O)N2)C(C(=O)NCCc2cccc(F)c2)c2cccnc2)cc1.

What is the InChIKey of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide?

The InChIKey is IAWKWBWYYGNQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32FN5O3/c1-29(2,3)21-9-11-23(12-10-21)35(27(37)24-18-33-28(38)34-24)25(20-7-5-14-31-17-20)26(36)32-15-13-19-6-4-8-22(30)16-19/h4-12,14,16-17,24-25H,13,15,18H2,1-3H3,(H,32,36)(H2,33,34,38).

What are the key properties of N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide?

N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 517.61 g/mol, XLogP of 3.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-N-[2-[2-(3-fluorophenyl)ethylamino]-2-oxo-1-pyridin-3-ylethyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 156906789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).