3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

C24H21F3N2O3 — CID 138609149

IUPAC3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
SMILESCc1cc(OC(F)F)nc(C)c1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1
InChIInChI=1S/C24H21F3N2O3/c1-14-11-20(32-23(26)27)28-15(2)21(14)16-3-5-17(6-4-16)24(12-31-13-24)22(30)29-19-9-7-18(25)8-10-19/h3-11,23H,12-13H2,1-2H3,(H,29,30)
InChIKeyUASVMUKQPLQXGQ-UHFFFAOYSA-N
MW442.44 g/mol
LogP5.01
Rot. Bonds6

About 3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide (PubChem CID 138609149) has the molecular formula C24H21F3N2O3 and a molecular weight of 442.44 g/mol. Its IUPAC name is 3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
PubChem CID138609149
Molecular FormulaC24H21F3N2O3
Molecular Weight442.44 g/mol
Exact Mass442.15
IUPAC Name3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
SMILESCc1cc(OC(F)F)nc(C)c1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1
InChIInChI=1S/C24H21F3N2O3/c1-14-11-20(32-23(26)27)28-15(2)21(14)16-3-5-17(6-4-16)24(12-31-13-24)22(30)29-19-9-7-18(25)8-10-19/h3-11,23H,12-13H2,1-2H3,(H,29,30)
InChIKeyUASVMUKQPLQXGQ-UHFFFAOYSA-N
XLogP5.01
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.44
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The IUPAC name of 3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide (CID 138609149) is 3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide is Cc1cc(OC(F)F)nc(C)c1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1.
What is the InChIKey of 3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The InChIKey is UASVMUKQPLQXGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O3/c1-14-11-20(32-23(26)27)28-15(2)21(14)16-3-5-17(6-4-16)24(12-31-13-24)22(30)29-19-9-7-18(25)8-10-19/h3-11,23H,12-13H2,1-2H3,(H,29,30).
What are the key properties of 3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide has a molecular weight of 442.44 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[6-(difluoromethoxy)-2,4-dimethyl-3-pyridinyl]phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide is sourced from PubChem (CID 138609149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).