N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

C22H26F3N3O3 — CID 159982999

About N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide

N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (PubChem CID 159982999) has the molecular formula C22H26F3N3O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
• PubChem CID: 159982999
• Molecular Formula: C22H26F3N3O3
• Molecular Weight: 437.46 g/mol
• Exact Mass: 437.19
• IUPAC Name: N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide
• SMILES: Cc1cc(C(=O)N(C)C(C)c2ccc(OCC(F)(F)F)nc2)cc(CC(=O)C(C)C)n1
• InChI: InChI=1S/C22H26F3N3O3/c1-13(2)19(29)10-18-9-17(8-14(3)27-18)21(30)28(5)15(4)16-6-7-20(26-11-16)31-12-22(23,24)25/h6-9,11,13,15H,10,12H2,1-5H3
• InChIKey: OFZWXEDTWOPEBK-UHFFFAOYSA-N
• XLogP: 4.33
• TPSA: 72.39 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.46
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?

The IUPAC name of N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide (CID 159982999) is N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide.

What is the SMILES notation for N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?

The canonical SMILES for N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)C(C)c2ccc(OCC(F)(F)F)nc2)cc(CC(=O)C(C)C)n1.

What is the InChIKey of N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?

The InChIKey is OFZWXEDTWOPEBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N3O3/c1-13(2)19(29)10-18-9-17(8-14(3)27-18)21(30)28(5)15(4)16-6-7-20(26-11-16)31-12-22(23,24)25/h6-9,11,13,15H,10,12H2,1-5H3.

What are the key properties of N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide?

N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N,2-dimethyl-6-(3-methyl-2-oxobutyl)-N-[1-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 159982999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).