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

C21H15FN4O2 — CID 11523642

IUPAC3-fluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(-c2nnco2)cc1-c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C21H15FN4O2/c1-13-2-3-15(21-26-24-12-28-21)10-18(13)14-4-6-16(7-5-14)25-20(27)17-8-9-23-11-19(17)22/h2-12H,1H3,(H,25,27)
InChIKeyNMPQFYMAMREFNS-UHFFFAOYSA-N
MW374.38 g/mol
LogP4.50
Rot. Bonds4

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

3-fluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide (PubChem CID 11523642) has the molecular formula C21H15FN4O2 and a molecular weight of 374.38 g/mol. Its IUPAC name is 3-fluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
PubChem CID11523642
Molecular FormulaC21H15FN4O2
Molecular Weight374.38 g/mol
Exact Mass374.12
IUPAC Name3-fluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide
SMILESCc1ccc(-c2nnco2)cc1-c1ccc(NC(=O)c2ccncc2F)cc1
InChIInChI=1S/C21H15FN4O2/c1-13-2-3-15(21-26-24-12-28-21)10-18(13)14-4-6-16(7-5-14)25-20(27)17-8-9-23-11-19(17)22/h2-12H,1H3,(H,25,27)
InChIKeyNMPQFYMAMREFNS-UHFFFAOYSA-N
XLogP4.50
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.38
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide (CID 11523642) is 3-fluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide is Cc1ccc(-c2nnco2)cc1-c1ccc(NC(=O)c2ccncc2F)cc1.
What is the InChIKey of 3-fluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
The InChIKey is NMPQFYMAMREFNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN4O2/c1-13-2-3-15(21-26-24-12-28-21)10-18(13)14-4-6-16(7-5-14)25-20(27)17-8-9-23-11-19(17)22/h2-12H,1H3,(H,25,27).
What are the key properties of 3-fluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide?
3-fluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide has a molecular weight of 374.38 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 11523642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).