3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide

C21H19FN4O2 — CID 68800513

IUPAC3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide
SMILESCC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)C(c2ncco2)NCC1
InChIInChI=1S/C21H19FN4O2/c1-13-6-9-24-19(21-25-10-11-28-21)18(13)14-2-4-15(5-3-14)26-20(27)16-7-8-23-12-17(16)22/h2-5,7-8,10-12,19,24H,6,9H2,1H3,(H,26,27)
InChIKeySAPQZQJHRSWTOW-UHFFFAOYSA-N
MW378.41 g/mol
LogP3.97
Rot. Bonds4

About 3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide

3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide (PubChem CID 68800513) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide
PubChem CID68800513
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide
SMILESCC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)C(c2ncco2)NCC1
InChIInChI=1S/C21H19FN4O2/c1-13-6-9-24-19(21-25-10-11-28-21)18(13)14-2-4-15(5-3-14)26-20(27)16-7-8-23-12-17(16)22/h2-5,7-8,10-12,19,24H,6,9H2,1H3,(H,26,27)
InChIKeySAPQZQJHRSWTOW-UHFFFAOYSA-N
XLogP3.97
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide (CID 68800513) is 3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide is CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)C(c2ncco2)NCC1.
What is the InChIKey of 3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is SAPQZQJHRSWTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-13-6-9-24-19(21-25-10-11-28-21)18(13)14-2-4-15(5-3-14)26-20(27)16-7-8-23-12-17(16)22/h2-5,7-8,10-12,19,24H,6,9H2,1H3,(H,26,27).
What are the key properties of 3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide?
3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[4-methyl-6-(1,3-oxazol-2-yl)-1,2,3,6-tetrahydropyridin-5-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 68800513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).