2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide

C17H12F2N4O3 — CID 109101087

IUPAC2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide
SMILESCc1cc(NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3F)n2)no1
InChIInChI=1S/C17H12F2N4O3/c1-9-7-15(23-26-9)22-17(25)14-4-2-3-13(20-14)16(24)21-12-6-5-10(18)8-11(12)19/h2-8H,1H3,(H,21,24)(H,22,23,25)
InChIKeyBNGTVAPWHIAFGW-UHFFFAOYSA-N
MW358.30 g/mol
LogP3.16
Rot. Bonds4

About 2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide

2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide (PubChem CID 109101087) has the molecular formula C17H12F2N4O3 and a molecular weight of 358.30 g/mol. Its IUPAC name is 2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide
PubChem CID109101087
Molecular FormulaC17H12F2N4O3
Molecular Weight358.30 g/mol
Exact Mass358.09
IUPAC Name2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide
SMILESCc1cc(NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3F)n2)no1
InChIInChI=1S/C17H12F2N4O3/c1-9-7-15(23-26-9)22-17(25)14-4-2-3-13(20-14)16(24)21-12-6-5-10(18)8-11(12)19/h2-8H,1H3,(H,21,24)(H,22,23,25)
InChIKeyBNGTVAPWHIAFGW-UHFFFAOYSA-N
XLogP3.16
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide (CID 109101087) is 2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide is Cc1cc(NC(=O)c2cccc(C(=O)Nc3ccc(F)cc3F)n2)no1.
What is the InChIKey of 2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide?
The InChIKey is BNGTVAPWHIAFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F2N4O3/c1-9-7-15(23-26-9)22-17(25)14-4-2-3-13(20-14)16(24)21-12-6-5-10(18)8-11(12)19/h2-8H,1H3,(H,21,24)(H,22,23,25).
What are the key properties of 2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide?
2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide has a molecular weight of 358.30 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2,4-difluorophenyl)-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109101087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).