2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide

C21H14F2N4O2 — CID 24775903

IUPAC2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide
SMILESCc1ccc(-c2nnco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C21H14F2N4O2/c1-12-5-6-13(21-27-25-11-29-21)9-15(12)14-7-8-18(24-10-14)26-20(28)19-16(22)3-2-4-17(19)23/h2-11H,1H3,(H,24,26,28)
InChIKeyHUKGURSOGGLRID-UHFFFAOYSA-N
MW392.37 g/mol
LogP4.64
Rot. Bonds4

About 2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide

2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide (PubChem CID 24775903) has the molecular formula C21H14F2N4O2 and a molecular weight of 392.37 g/mol. Its IUPAC name is 2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide
PubChem CID24775903
Molecular FormulaC21H14F2N4O2
Molecular Weight392.37 g/mol
Exact Mass392.11
IUPAC Name2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide
SMILESCc1ccc(-c2nnco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1
InChIInChI=1S/C21H14F2N4O2/c1-12-5-6-13(21-27-25-11-29-21)9-15(12)14-7-8-18(24-10-14)26-20(28)19-16(22)3-2-4-17(19)23/h2-11H,1H3,(H,24,26,28)
InChIKeyHUKGURSOGGLRID-UHFFFAOYSA-N
XLogP4.64
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.37
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2',6-Dimethyl-4'-(5-methyl-1,3,4-oxadiazol-2-yl)[1,1'-biphenyl]-3-yl]-2-(1-pyrrolidinyl)-4-pyridinecarboxamide
CID 10479082
(S)-N1-(5-(isoquinolin-6-yl)-1,3,4-oxadiazol-2-yl)-3-(4-(trifluoromethyl)phenyl)propane-1,2-diamine
CID 25175218
US10292981, Example 87
CID 89763991
4-[5-[4-Phenyl-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]pyridin-2-amine
CID 25110230
N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)naphthalene-2-carboxamide
CID 3463680
Methyl 2-fluoro-6-[3-fluoro-4-[(pyridin-2-ylamino)methyl]phenyl]benzoate
CID 44411297
N-benzyl-5-(3-fluoroisoquinolin-6-yl)-1,3,4-oxadiazol-2-amine
CID 72547516
N-benzyl-5-isoquinolin-6-yl-1,3,4-oxadiazol-2-amine
CID 76313690
5-(3-fluoro-5-pyridin-3-ylphenyl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3,4-oxadiazol-2-amine
CID 137638755
5-[3-pyridin-3-yl-5-(trifluoromethyl)phenyl]-N-[4-(pyrrolidin-1-ylmethyl)phenyl]-1,3,4-oxadiazol-2-amine
CID 137644690
5-(4-fluoro-3-pyridin-3-ylphenyl)-N-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-1,3,4-oxadiazol-2-amine
CID 137647946
N-[4-[(dimethylamino)methyl]phenyl]-5-(3-pyridin-3-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 137650037

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide?
The IUPAC name of 2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide (CID 24775903) is 2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide is Cc1ccc(-c2nnco2)cc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1.
What is the InChIKey of 2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide?
The InChIKey is HUKGURSOGGLRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N4O2/c1-12-5-6-13(21-27-25-11-29-21)9-15(12)14-7-8-18(24-10-14)26-20(28)19-16(22)3-2-4-17(19)23/h2-11H,1H3,(H,24,26,28).
What are the key properties of 2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide?
2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide has a molecular weight of 392.37 g/mol, XLogP of 4.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[5-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]benzamide is sourced from PubChem (CID 24775903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).