1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide

C26H25F3N4O2 — CID 160983450

About 1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide

1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide (PubChem CID 160983450) has the molecular formula C26H25F3N4O2 and a molecular weight of 482.51 g/mol. Its IUPAC name is 1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
• PubChem CID: 160983450
• Molecular Formula: C26H25F3N4O2
• Molecular Weight: 482.51 g/mol
• Exact Mass: 482.19
• IUPAC Name: 1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide
• SMILES: Cc1cncc(C(=O)CC2(C(=O)NCc3ccc(Nc4ccc(C)cc4C(F)(F)F)cn3)CC2)c1
• InChI: InChI=1S/C26H25F3N4O2/c1-16-3-6-22(21(10-16)26(27,28)29)33-20-5-4-19(31-15-20)14-32-24(35)25(7-8-25)11-23(34)18-9-17(2)12-30-13-18/h3-6,9-10,12-13,15,33H,7-8,11,14H2,1-2H3,(H,32,35)
• InChIKey: SZUSEOZBYJNDHW-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 83.98 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	482.51
LogP ≤ 5	5.53
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?

The IUPAC name of 1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide (CID 160983450) is 1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide.

What is the SMILES notation for 1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?

The canonical SMILES for 1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide is Cc1cncc(C(=O)CC2(C(=O)NCc3ccc(Nc4ccc(C)cc4C(F)(F)F)cn3)CC2)c1.

What is the InChIKey of 1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?

The InChIKey is SZUSEOZBYJNDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O2/c1-16-3-6-22(21(10-16)26(27,28)29)33-20-5-4-19(31-15-20)14-32-24(35)25(7-8-25)11-23(34)18-9-17(2)12-30-13-18/h3-6,9-10,12-13,15,33H,7-8,11,14H2,1-2H3,(H,32,35).

What are the key properties of 1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide?

1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide has a molecular weight of 482.51 g/mol, XLogP of 5.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-(5-methyl-3-pyridinyl)-2-oxoethyl]-N-[[5-[4-methyl-2-(trifluoromethyl)anilino]-2-pyridinyl]methyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 160983450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).