6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide

C25H25F4N3O2 — CID 91048250

IUPAC6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide
SMILESCCC(C(=Cc1cc(F)c(C)cc1C)c1ccc(C(=O)NC(C)C(F)(F)F)cn1)c1ncco1
InChIInChI=1S/C25H25F4N3O2/c1-5-19(24-30-8-9-34-24)20(11-18-12-21(26)15(3)10-14(18)2)22-7-6-17(13-31-22)23(33)32-16(4)25(27,28)29/h6-13,16,19H,5H2,1-4H3,(H,32,33)
InChIKeyGQZHFARJLUWXCS-UHFFFAOYSA-N
MW475.49 g/mol
LogP6.24
Rot. Bonds7

About 6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide

6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide (PubChem CID 91048250) has the molecular formula C25H25F4N3O2 and a molecular weight of 475.49 g/mol. Its IUPAC name is 6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide
PubChem CID91048250
Molecular FormulaC25H25F4N3O2
Molecular Weight475.49 g/mol
Exact Mass475.19
IUPAC Name6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide
SMILESCCC(C(=Cc1cc(F)c(C)cc1C)c1ccc(C(=O)NC(C)C(F)(F)F)cn1)c1ncco1
InChIInChI=1S/C25H25F4N3O2/c1-5-19(24-30-8-9-34-24)20(11-18-12-21(26)15(3)10-14(18)2)22-7-6-17(13-31-22)23(33)32-16(4)25(27,28)29/h6-13,16,19H,5H2,1-4H3,(H,32,33)
InChIKeyGQZHFARJLUWXCS-UHFFFAOYSA-N
XLogP6.24
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.49
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide (CID 91048250) is 6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide is CCC(C(=Cc1cc(F)c(C)cc1C)c1ccc(C(=O)NC(C)C(F)(F)F)cn1)c1ncco1.
What is the InChIKey of 6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide?
The InChIKey is GQZHFARJLUWXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F4N3O2/c1-5-19(24-30-8-9-34-24)20(11-18-12-21(26)15(3)10-14(18)2)22-7-6-17(13-31-22)23(33)32-16(4)25(27,28)29/h6-13,16,19H,5H2,1-4H3,(H,32,33).
What are the key properties of 6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide?
6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide has a molecular weight of 475.49 g/mol, XLogP of 6.24, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(5-fluoro-2,4-dimethylphenyl)-3-(1,3-oxazol-2-yl)pent-1-en-2-yl]-N-(1,1,1-trifluoropropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 91048250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).