1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

C16H17F6N3O3 — CID 17472912

About 1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide

1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 17472912) has the molecular formula C16H17F6N3O3 and a molecular weight of 413.32 g/mol. Its IUPAC name is 1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
• PubChem CID: 17472912
• Molecular Formula: C16H17F6N3O3
• Molecular Weight: 413.32 g/mol
• Exact Mass: 413.12
• IUPAC Name: 1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide
• SMILES: CC(C1CC1)N(CC(F)(F)F)C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O
• InChI: InChI=1S/C16H17F6N3O3/c1-8(9-2-3-9)25(7-15(17,18)19)12(26)6-24-11(16(20,21)22)5-4-10(13(23)27)14(24)28/h4-5,8-9H,2-3,6-7H2,1H3,(H2,23,27)
• InChIKey: MCPNQLAROATNBO-UHFFFAOYSA-N
• XLogP: 2.16
• TPSA: 85.40 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	413.32
LogP ≤ 5	2.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?

The IUPAC name of 1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide (CID 17472912) is 1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide.

What is the SMILES notation for 1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?

The canonical SMILES for 1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is CC(C1CC1)N(CC(F)(F)F)C(=O)Cn1c(C(F)(F)F)ccc(C(N)=O)c1=O.

What is the InChIKey of 1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?

The InChIKey is MCPNQLAROATNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F6N3O3/c1-8(9-2-3-9)25(7-15(17,18)19)12(26)6-24-11(16(20,21)22)5-4-10(13(23)27)14(24)28/h4-5,8-9H,2-3,6-7H2,1H3,(H2,23,27).

What are the key properties of 1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide?

1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 413.32 g/mol, XLogP of 2.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[1-cyclopropylethyl(2,2,2-trifluoroethyl)amino]-2-oxoethyl]-2-oxo-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 17472912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).