4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide

C18H13F3N4O3 — CID 109093176

IUPAC4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
SMILESCc1cc(NC(=O)c2ccnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)no1
InChIInChI=1S/C18H13F3N4O3/c1-10-7-15(25-28-10)24-16(26)11-5-6-22-14(8-11)17(27)23-13-4-2-3-12(9-13)18(19,20)21/h2-9H,1H3,(H,23,27)(H,24,25,26)
InChIKeyAXFRKVDPZBTELS-UHFFFAOYSA-N
MW390.32 g/mol
LogP3.90
Rot. Bonds4

About 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide

4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide (PubChem CID 109093176) has the molecular formula C18H13F3N4O3 and a molecular weight of 390.32 g/mol. Its IUPAC name is 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
PubChem CID109093176
Molecular FormulaC18H13F3N4O3
Molecular Weight390.32 g/mol
Exact Mass390.09
IUPAC Name4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
SMILESCc1cc(NC(=O)c2ccnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)no1
InChIInChI=1S/C18H13F3N4O3/c1-10-7-15(25-28-10)24-16(26)11-5-6-22-14(8-11)17(27)23-13-4-2-3-12(9-13)18(19,20)21/h2-9H,1H3,(H,23,27)(H,24,25,26)
InChIKeyAXFRKVDPZBTELS-UHFFFAOYSA-N
XLogP3.90
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.32
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109050141
2-N-(3-methylphenyl)-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109091236
4-N-(3,4-dichlorophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109093352
2-N-(5-methyl-1,2-oxazol-3-yl)-4-N-[2-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109093173
4-N-(4-acetamidophenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109093229
1-(5-methyl-1,2-oxazol-3-yl)-3-[3-(trifluoromethyl)phenyl]urea
CID 978129
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-(4-propan-2-ylphenyl)pyridine-2,4-dicarboxamide
CID 109092499
4-N-(3-chloro-2-methylphenyl)-2-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,4-dicarboxamide
CID 109092904
4-N-cyclopentyl-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109080812
2-N-pentyl-4-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide
CID 109089898
4-[2-chloro-5-(trifluoromethyl)anilino]-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109222326
2-[(5-methyl-1,2-oxazol-3-yl)amino]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 109009780

Frequently Asked Questions

What is the IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide (CID 109093176) is 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide is Cc1cc(NC(=O)c2ccnc(C(=O)Nc3cccc(C(F)(F)F)c3)c2)no1.
What is the InChIKey of 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
The InChIKey is AXFRKVDPZBTELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F3N4O3/c1-10-7-15(25-28-10)24-16(26)11-5-6-22-14(8-11)17(27)23-13-4-2-3-12(9-13)18(19,20)21/h2-9H,1H3,(H,23,27)(H,24,25,26).
What are the key properties of 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide?
4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide has a molecular weight of 390.32 g/mol, XLogP of 3.90, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(5-methyl-1,2-oxazol-3-yl)-2-N-[3-(trifluoromethyl)phenyl]pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109093176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).