3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide

C23H20F3N3O4 — CID 118948654

IUPAC3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
SMILESCOc1ncc(-c2cc(C(=O)Nc3ccnc(C(F)(F)F)c3)ccc2C)cc1C1(O)COC1
InChIInChI=1S/C23H20F3N3O4/c1-13-3-4-14(20(30)29-16-5-6-27-19(9-16)23(24,25)26)7-17(13)15-8-18(21(32-2)28-10-15)22(31)11-33-12-22/h3-10,31H,11-12H2,1-2H3,(H,27,29,30)
InChIKeyYHBNKPYCVWEXJA-UHFFFAOYSA-N
MW459.42 g/mol
LogP3.95
Rot. Bonds5

About 3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide

3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide (PubChem CID 118948654) has the molecular formula C23H20F3N3O4 and a molecular weight of 459.42 g/mol. Its IUPAC name is 3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide.

Molecular Properties

Compound Name3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
PubChem CID118948654
Molecular FormulaC23H20F3N3O4
Molecular Weight459.42 g/mol
Exact Mass459.14
IUPAC Name3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide
SMILESCOc1ncc(-c2cc(C(=O)Nc3ccnc(C(F)(F)F)c3)ccc2C)cc1C1(O)COC1
InChIInChI=1S/C23H20F3N3O4/c1-13-3-4-14(20(30)29-16-5-6-27-19(9-16)23(24,25)26)7-17(13)15-8-18(21(32-2)28-10-15)22(31)11-33-12-22/h3-10,31H,11-12H2,1-2H3,(H,27,29,30)
InChIKeyYHBNKPYCVWEXJA-UHFFFAOYSA-N
XLogP3.95
TPSA93.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.42
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-6-methyl-3-pyridinyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 134609346
2-(2-cyanopropan-2-yl)-N-[3-[6-ethoxy-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609474
2-(1,1-difluoroethyl)-N-[3-[6-(1,3-dimethylpyrazol-4-yl)-5-(3-hydroxyoxetan-3-yl)-3-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609586
6-(2-aminopropan-2-yl)-N-[3-[5-(3-fluorooxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methylphenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 135138998
3-[5-[5-[2-(1,1-difluoroethyl)-4-pyridinyl]-2-methylphenyl]-2-ethoxy-3-pyridinyl]oxetan-3-ol
CID 138615648
2-(2-cyanopropan-2-yl)-N-[3-[3-(3-fluorooxetan-3-yl)-5-(3-hydroxyoxetan-3-yl)phenyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609615
N-[4-methyl-3-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930622
N-[3-[6-(3-formamidoprop-1-ynyl)-5-morpholin-4-yl-3-pyridinyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 163255688
N-[3-[3-[6-(cyclopropanecarbonylamino)pyrimidin-4-yl]phenyl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 168930177
N-[4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 90408534
methyl 5-[5-[2-methyl-5-[[2-(trifluoromethyl)pyridine-4-carbonyl]amino]phenyl]-3-morpholin-4-yl-2-pyridinyl]pent-4-ynoate
CID 163255578
N-[3-[(10R,11R,15R)-8-ethyl-9-oxo-13-oxa-6,8-diazatetracyclo[8.5.0.02,7.011,15]pentadeca-2(7),3,5-trien-4-yl]-4-methylphenyl]-2-(trifluoromethyl)pyridine-4-carboxamide
CID 129272030

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide?
The IUPAC name of 3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide (CID 118948654) is 3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide.
What is the SMILES notation for 3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide?
The canonical SMILES for 3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide is COc1ncc(-c2cc(C(=O)Nc3ccnc(C(F)(F)F)c3)ccc2C)cc1C1(O)COC1.
What is the InChIKey of 3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide?
The InChIKey is YHBNKPYCVWEXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F3N3O4/c1-13-3-4-14(20(30)29-16-5-6-27-19(9-16)23(24,25)26)7-17(13)15-8-18(21(32-2)28-10-15)22(31)11-33-12-22/h3-10,31H,11-12H2,1-2H3,(H,27,29,30).
What are the key properties of 3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide?
3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide has a molecular weight of 459.42 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-hydroxyoxetan-3-yl)-6-methoxy-3-pyridinyl]-4-methyl-N-[2-(trifluoromethyl)-4-pyridinyl]benzamide is sourced from PubChem (CID 118948654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).