4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide

C18H14F2N4O2 — CID 170574598

IUPAC4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CC(F)(F)C2)cc(-c2cccc(-c3ccon3)c2)n1
InChIInChI=1S/C18H14F2N4O2/c19-18(20)9-24(10-18)13-7-15(22-16(8-13)17(21)25)12-3-1-2-11(6-12)14-4-5-26-23-14/h1-8H,9-10H2,(H2,21,25)
InChIKeyKYSRPTCBSDYPCZ-UHFFFAOYSA-N
MW356.33 g/mol
LogP2.96
Rot. Bonds4

About 4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide

4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide (PubChem CID 170574598) has the molecular formula C18H14F2N4O2 and a molecular weight of 356.33 g/mol. Its IUPAC name is 4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide
PubChem CID170574598
Molecular FormulaC18H14F2N4O2
Molecular Weight356.33 g/mol
Exact Mass356.11
IUPAC Name4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CC(F)(F)C2)cc(-c2cccc(-c3ccon3)c2)n1
InChIInChI=1S/C18H14F2N4O2/c19-18(20)9-24(10-18)13-7-15(22-16(8-13)17(21)25)12-3-1-2-11(6-12)14-4-5-26-23-14/h1-8H,9-10H2,(H2,21,25)
InChIKeyKYSRPTCBSDYPCZ-UHFFFAOYSA-N
XLogP2.96
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-[3-(1,2-oxazol-3-yl)phenyl]-1,3-thiazole-4-carboxamide
CID 170414131
carbamic acid;3-phenyl-1,2-oxazole
CID 175520433
3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide
CID 170575085
3-(6-carbamoyl-2-pyridinyl)benzoic acid
CID 102340613
3-amino-4-cyclopropyl-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide;3-hydroxy-1-methylpyrrolidin-2-one
CID 170574686
4-cyclopropyl-6-[3-[5-[(3S)-3-hydroxy-1-methylpyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]pyridine-2-carboxamide
CID 170574921
6-[3-[5-[(3S)-3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]phenyl]-4-methoxypyridine-2-carboxamide
CID 170575198
[4-[3-(1,2-oxazol-3-yl)phenyl]phenyl]-piperazin-1-ylmethanone
CID 151156326
6-(3-ethynylphenyl)-4-methylpyridine-2-carboxamide
CID 144793661
CID 170575117
CID 170575117
2-chloro-N-[3-(1,2-oxazol-3-yl)phenyl]acetamide
CID 166414612
6-(2,2-difluorocyclopropyl)pyridine-2-carboxamide
CID 171477772

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide?
The IUPAC name of 4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide (CID 170574598) is 4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide is NC(=O)c1cc(N2CC(F)(F)C2)cc(-c2cccc(-c3ccon3)c2)n1.
What is the InChIKey of 4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide?
The InChIKey is KYSRPTCBSDYPCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N4O2/c19-18(20)9-24(10-18)13-7-15(22-16(8-13)17(21)25)12-3-1-2-11(6-12)14-4-5-26-23-14/h1-8H,9-10H2,(H2,21,25).
What are the key properties of 4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide?
4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide has a molecular weight of 356.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-difluoroazetidin-1-yl)-6-[3-(1,2-oxazol-3-yl)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 170574598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).