3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide

C17H15FN4O2 — CID 97098367

IUPAC3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
SMILESC[C@H](CNC(=O)c1ccncc1F)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H15FN4O2/c1-11(9-20-16(23)13-7-8-19-10-14(13)18)17-21-15(22-24-17)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,20,23)/t11-/m1/s1
InChIKeyRWKFMOKLYBFVND-LLVKDONJSA-N
MW326.33 g/mol
LogP2.80
Rot. Bonds5

About 3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide

3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide (PubChem CID 97098367) has the molecular formula C17H15FN4O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
PubChem CID97098367
Molecular FormulaC17H15FN4O2
Molecular Weight326.33 g/mol
Exact Mass326.12
IUPAC Name3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
SMILESC[C@H](CNC(=O)c1ccncc1F)c1nc(-c2ccccc2)no1
InChIInChI=1S/C17H15FN4O2/c1-11(9-20-16(23)13-7-8-19-10-14(13)18)17-21-15(22-24-17)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,20,23)/t11-/m1/s1
InChIKeyRWKFMOKLYBFVND-LLVKDONJSA-N
XLogP2.80
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide with MolForge

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Related Compounds

5-chloro-2-fluoro-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123379
5-cyano-2-methyl-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146152193
2-(ethylamino)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]propanamide
CID 166250559
3-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 146123390
4-(5-methyl-1,3,4-oxadiazol-2-yl)-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]benzamide
CID 97074910
2-cyano-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide
CID 146127465
3-fluoro-N-(2-methylbutyl)pyridine-4-carboxamide
CID 105066570
3-fluoro-N-(3-phenylbutyl)pyridine-4-carboxamide
CID 115646100
1,2-dimethyl-3-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]guanidine
CID 97068058
2-(4-methylpiperazin-1-yl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]acetamide
CID 167962986
3-fluoro-N-phenacylpyridine-4-carboxamide
CID 64991811
3-fluoro-N-[2-(2-methylpropanoylamino)ethyl]pyridine-4-carboxamide
CID 115645511

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide (CID 97098367) is 3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide is C[C@H](CNC(=O)c1ccncc1F)c1nc(-c2ccccc2)no1.
What is the InChIKey of 3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide?
The InChIKey is RWKFMOKLYBFVND-LLVKDONJSA-N. The full InChI is InChI=1S/C17H15FN4O2/c1-11(9-20-16(23)13-7-8-19-10-14(13)18)17-21-15(22-24-17)12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,20,23)/t11-/m1/s1.
What are the key properties of 3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide?
3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2R)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]pyridine-4-carboxamide is sourced from PubChem (CID 97098367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).