N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide

C22H21F3N6O2 — CID 118092884

About N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide

N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide (PubChem CID 118092884) has the molecular formula C22H21F3N6O2 and a molecular weight of 458.44 g/mol. Its IUPAC name is N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide
• PubChem CID: 118092884
• Molecular Formula: C22H21F3N6O2
• Molecular Weight: 458.44 g/mol
• Exact Mass: 458.17
• IUPAC Name: N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide
• SMILES: CNC(=O)CN(C)C(=O)c1ccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)cn1
• InChI: InChI=1S/C22H21F3N6O2/c1-13-8-15(10-16(9-13)29-21-27-7-6-18(30-21)22(23,24)25)14-4-5-17(28-11-14)20(33)31(3)12-19(32)26-2/h4-11H,12H2,1-3H3,(H,26,32)(H,27,29,30)
• InChIKey: CZDNLJCAVTYHMY-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 100.11 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	458.44
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide?

The IUPAC name of N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide (CID 118092884) is N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide.

What is the SMILES notation for N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide?

The canonical SMILES for N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide is CNC(=O)CN(C)C(=O)c1ccc(-c2cc(C)cc(Nc3nccc(C(F)(F)F)n3)c2)cn1.

What is the InChIKey of N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide?

The InChIKey is CZDNLJCAVTYHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O2/c1-13-8-15(10-16(9-13)29-21-27-7-6-18(30-21)22(23,24)25)14-4-5-17(28-11-14)20(33)31(3)12-19(32)26-2/h4-11H,12H2,1-3H3,(H,26,32)(H,27,29,30).

What are the key properties of N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide?

N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[2-(methylamino)-2-oxoethyl]-5-[3-methyl-5-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 118092884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).