(4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide

C23H26ClF4N5O2 — CID 169080939

About (4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide

(4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide (PubChem CID 169080939) has the molecular formula C23H26ClF4N5O2 and a molecular weight of 515.94 g/mol. Its IUPAC name is (4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide.

Molecular Properties

• Compound Name: (4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide
• PubChem CID: 169080939
• Molecular Formula: C23H26ClF4N5O2
• Molecular Weight: 515.94 g/mol
• Exact Mass: 515.17
• IUPAC Name: (4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide
• SMILES: Cc1cc(C(F)(F)F)cc(N2C(=O)N(CCCN(C)C)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1
• InChI: InChI=1S/C23H26ClF4N5O2/c1-14-10-15(23(26,27)28)11-20(29-14)33-19(13-32(22(33)35)9-5-8-30(2)3)21(34)31(4)16-6-7-18(25)17(24)12-16/h6-7,10-12,19H,5,8-9,13H2,1-4H3/t19-/m0/s1
• InChIKey: JEUTYCRNYJLEGK-IBGZPJMESA-N
• XLogP: 4.43
• TPSA: 59.99 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.94
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

The IUPAC name of (4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide (CID 169080939) is (4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide.

What is the SMILES notation for (4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

The canonical SMILES for (4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide is Cc1cc(C(F)(F)F)cc(N2C(=O)N(CCCN(C)C)C[C@H]2C(=O)N(C)c2ccc(F)c(Cl)c2)n1.

What is the InChIKey of (4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

The InChIKey is JEUTYCRNYJLEGK-IBGZPJMESA-N. The full InChI is InChI=1S/C23H26ClF4N5O2/c1-14-10-15(23(26,27)28)11-20(29-14)33-19(13-32(22(33)35)9-5-8-30(2)3)21(34)31(4)16-6-7-18(25)17(24)12-16/h6-7,10-12,19H,5,8-9,13H2,1-4H3/t19-/m0/s1.

What are the key properties of (4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide?

(4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide has a molecular weight of 515.94 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-N-(3-chloro-4-fluorophenyl)-1-[3-(dimethylamino)propyl]-N-methyl-3-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-2-oxoimidazolidine-4-carboxamide is sourced from PubChem (CID 169080939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).