N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide

C22H21F3N4O4 — CID 155585172

About N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide (PubChem CID 155585172) has the molecular formula C22H21F3N4O4 and a molecular weight of 462.43 g/mol. Its IUPAC name is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
• PubChem CID: 155585172
• Molecular Formula: C22H21F3N4O4
• Molecular Weight: 462.43 g/mol
• Exact Mass: 462.15
• IUPAC Name: N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
• SMILES: CC1(C)OCC(CNC(=O)c2ccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cn2)O1
• InChI: InChI=1S/C22H21F3N4O4/c1-21(2)31-12-16(33-21)10-27-19(30)17-8-7-15(9-26-17)29-20-28-11-18(32-20)13-3-5-14(6-4-13)22(23,24)25/h3-9,11,16H,10,12H2,1-2H3,(H,27,30)(H,28,29)
• InChIKey: PZWMSLJLRVXABO-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 98.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.43
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?

The IUPAC name of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide (CID 155585172) is N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide.

What is the SMILES notation for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?

The canonical SMILES for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide is CC1(C)OCC(CNC(=O)c2ccc(Nc3ncc(-c4ccc(C(F)(F)F)cc4)o3)cn2)O1.

What is the InChIKey of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?

The InChIKey is PZWMSLJLRVXABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O4/c1-21(2)31-12-16(33-21)10-27-19(30)17-8-7-15(9-26-17)29-20-28-11-18(32-20)13-3-5-14(6-4-13)22(23,24)25/h3-9,11,16H,10,12H2,1-2H3,(H,27,30)(H,28,29).

What are the key properties of N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide?

N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide has a molecular weight of 462.43 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 155585172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).