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

C21H19FN4O2 — CID 24831435

IUPAC3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide
SMILESCC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(c2ncco2)CC1
InChIInChI=1S/C21H19FN4O2/c1-14-7-10-26(21-24-9-11-28-21)13-18(14)15-2-4-16(5-3-15)25-20(27)17-6-8-23-12-19(17)22/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,25,27)
InChIKeyOWUNKIPWLBWUAI-UHFFFAOYSA-N
MW378.41 g/mol
LogP4.14
Rot. Bonds4

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

3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide (PubChem CID 24831435) has the molecular formula C21H19FN4O2 and a molecular weight of 378.41 g/mol. Its IUPAC name is 3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide
PubChem CID24831435
Molecular FormulaC21H19FN4O2
Molecular Weight378.41 g/mol
Exact Mass378.15
IUPAC Name3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide
SMILESCC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(c2ncco2)CC1
InChIInChI=1S/C21H19FN4O2/c1-14-7-10-26(21-24-9-11-28-21)13-18(14)15-2-4-16(5-3-15)25-20(27)17-6-8-23-12-19(17)22/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,25,27)
InChIKeyOWUNKIPWLBWUAI-UHFFFAOYSA-N
XLogP4.14
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide (CID 24831435) is 3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide is CC1=C(c2ccc(NC(=O)c3ccncc3F)cc2)CN(c2ncco2)CC1.
What is the InChIKey of 3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide?
The InChIKey is OWUNKIPWLBWUAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4O2/c1-14-7-10-26(21-24-9-11-28-21)13-18(14)15-2-4-16(5-3-15)25-20(27)17-6-8-23-12-19(17)22/h2-6,8-9,11-12H,7,10,13H2,1H3,(H,25,27).
What are the key properties of 3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide?
3-fluoro-N-[4-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide has a molecular weight of 378.41 g/mol, XLogP of 4.14, 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-[4-methyl-1-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridin-5-yl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 24831435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).