3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

C25H23FN2O2 — CID 138609171

IUPAC3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
SMILESCc1cc(C2CC2)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1
InChIInChI=1S/C25H23FN2O2/c1-16-12-23(18-2-3-18)27-13-22(16)17-4-6-19(7-5-17)25(14-30-15-25)24(29)28-21-10-8-20(26)9-11-21/h4-13,18H,2-3,14-15H2,1H3,(H,28,29)
InChIKeyZBXAYRHDZBOZCA-UHFFFAOYSA-N
MW402.47 g/mol
LogP4.98
Rot. Bonds5

About 3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide

3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide (PubChem CID 138609171) has the molecular formula C25H23FN2O2 and a molecular weight of 402.47 g/mol. Its IUPAC name is 3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide.

Molecular Properties

Compound Name3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
PubChem CID138609171
Molecular FormulaC25H23FN2O2
Molecular Weight402.47 g/mol
Exact Mass402.17
IUPAC Name3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
SMILESCc1cc(C2CC2)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1
InChIInChI=1S/C25H23FN2O2/c1-16-12-23(18-2-3-18)27-13-22(16)17-4-6-19(7-5-17)25(14-30-15-25)24(29)28-21-10-8-20(26)9-11-21/h4-13,18H,2-3,14-15H2,1H3,(H,28,29)
InChIKeyZBXAYRHDZBOZCA-UHFFFAOYSA-N
XLogP4.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.47
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ido1-IN-18
CID 138609137
3-[4-(6-cyclopropylpyridin-3-yl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide
CID 138609057
3,3-difluoro-N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl]cyclobutane-1-carboxamide
CID 138609037
Ido1-IN-19
CID 138609155
1-[4-(6-cyclopropyl-3-pyridinyl)phenyl]-N-propylcyclobutane-1-carboxamide
CID 138609066
N-(4-fluorophenyl)-1-[4-[4-(hydroxymethyl)-6-(trifluoromethyl)pyridin-3-yl]phenyl]cyclobutane-1-carboxamide
CID 138609144
N-(4-fluorophenyl)-3-[4-[4-methyl-6-(trifluoromethyl)pyridin-3-yl]phenyl]oxetane-3-carboxamide
CID 138609293
Ethyl 3-(4-fluoroanilino)-2-phenyl-3-pyridin-2-ylpropanoate
CID 2803848
US10167279, Example 22
CID 135133690
US9789100, Example 37
CID 139208354
Benzeneacetamide, alpha-((acetyloxy)methyl)-N-(2-pyridinylmethyl)-, monohydrochloride
CID 215784
2,2-bis(4-methylphenyl)-N-pyridin-4-ylcyclopropane-1-carboxamide
CID 3104466

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The IUPAC name of 3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide (CID 138609171) is 3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide.
What is the SMILES notation for 3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The canonical SMILES for 3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide is Cc1cc(C2CC2)ncc1-c1ccc(C2(C(=O)Nc3ccc(F)cc3)COC2)cc1.
What is the InChIKey of 3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
The InChIKey is ZBXAYRHDZBOZCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN2O2/c1-16-12-23(18-2-3-18)27-13-22(16)17-4-6-19(7-5-17)25(14-30-15-25)24(29)28-21-10-8-20(26)9-11-21/h4-13,18H,2-3,14-15H2,1H3,(H,28,29).
What are the key properties of 3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide?
3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide has a molecular weight of 402.47 g/mol, XLogP of 4.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-cyclopropyl-4-methyl-3-pyridinyl)phenyl]-N-(4-fluorophenyl)oxetane-3-carboxamide is sourced from PubChem (CID 138609171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).