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

C21H16FN5O2 — CID 169422422

IUPAC3-(5-amino-3-pyridinyl)-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCc1noc(-c2ccccc2NC(=O)c2cc(F)cc(-c3cncc(N)c3)c2)n1
InChIInChI=1S/C21H16FN5O2/c1-12-25-21(29-27-12)18-4-2-3-5-19(18)26-20(28)14-6-13(7-16(22)8-14)15-9-17(23)11-24-10-15/h2-11H,23H2,1H3,(H,26,28)
InChIKeyNBGODYNZGGHHEF-UHFFFAOYSA-N
MW389.39 g/mol
LogP4.08
Rot. Bonds4

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

3-(5-amino-3-pyridinyl)-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (PubChem CID 169422422) has the molecular formula C21H16FN5O2 and a molecular weight of 389.39 g/mol. Its IUPAC name is 3-(5-amino-3-pyridinyl)-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(5-amino-3-pyridinyl)-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
PubChem CID169422422
Molecular FormulaC21H16FN5O2
Molecular Weight389.39 g/mol
Exact Mass389.13
IUPAC Name3-(5-amino-3-pyridinyl)-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
SMILESCc1noc(-c2ccccc2NC(=O)c2cc(F)cc(-c3cncc(N)c3)c2)n1
InChIInChI=1S/C21H16FN5O2/c1-12-25-21(29-27-12)18-4-2-3-5-19(18)26-20(28)14-6-13(7-16(22)8-14)15-9-17(23)11-24-10-15/h2-11H,23H2,1H3,(H,26,28)
InChIKeyNBGODYNZGGHHEF-UHFFFAOYSA-N
XLogP4.08
TPSA106.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.39
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30332842
3-butoxy-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 30330712
2,2-dimethyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 30333251
2-bromo-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]furan-3-carboxamide
CID 106853073
6-methyl-N-[2-(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)phenyl]pyridine-3-carboxamide
CID 30334607
4-fluoro-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 4973284
3,5-difluoro-N-(2-phenylphenyl)benzamide
CID 4794052
5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 55165620
5-fluoro-N-(2-phenylphenyl)pyridine-3-carboxamide
CID 142723977
2-methoxy-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]propanamide
CID 103028833
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-2-(propan-2-ylamino)acetamide
CID 60841655
4-amino-2-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]butanamide
CID 80543433

Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-pyridinyl)-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The IUPAC name of 3-(5-amino-3-pyridinyl)-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide (CID 169422422) is 3-(5-amino-3-pyridinyl)-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide.
What is the SMILES notation for 3-(5-amino-3-pyridinyl)-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The canonical SMILES for 3-(5-amino-3-pyridinyl)-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is Cc1noc(-c2ccccc2NC(=O)c2cc(F)cc(-c3cncc(N)c3)c2)n1.
What is the InChIKey of 3-(5-amino-3-pyridinyl)-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
The InChIKey is NBGODYNZGGHHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN5O2/c1-12-25-21(29-27-12)18-4-2-3-5-19(18)26-20(28)14-6-13(7-16(22)8-14)15-9-17(23)11-24-10-15/h2-11H,23H2,1H3,(H,26,28).
What are the key properties of 3-(5-amino-3-pyridinyl)-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide?
3-(5-amino-3-pyridinyl)-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide has a molecular weight of 389.39 g/mol, XLogP of 4.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-pyridinyl)-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide is sourced from PubChem (CID 169422422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).