N-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

C26H25F3N4O4 — CID 90456267

IUPACN-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2COC2)c(N2CCOCC2)c1
InChIInChI=1S/C26H25F3N4O4/c1-16-22(11-20(13-30-16)32-24(34)17-3-2-4-19(9-17)26(27,28)29)18-10-23(33-5-7-35-8-6-33)25(31-12-18)37-21-14-36-15-21/h2-4,9-13,21H,5-8,14-15H2,1H3,(H,32,34)
InChIKeyUEFADVPYCZXKGV-UHFFFAOYSA-N
MW514.50 g/mol
LogP4.34
Rot. Bonds6

About N-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide

N-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (PubChem CID 90456267) has the molecular formula C26H25F3N4O4 and a molecular weight of 514.50 g/mol. Its IUPAC name is N-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
PubChem CID90456267
Molecular FormulaC26H25F3N4O4
Molecular Weight514.50 g/mol
Exact Mass514.18
IUPAC NameN-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
SMILESCc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2COC2)c(N2CCOCC2)c1
InChIInChI=1S/C26H25F3N4O4/c1-16-22(11-20(13-30-16)32-24(34)17-3-2-4-19(9-17)26(27,28)29)18-10-23(33-5-7-35-8-6-33)25(31-12-18)37-21-14-36-15-21/h2-4,9-13,21H,5-8,14-15H2,1H3,(H,32,34)
InChIKeyUEFADVPYCZXKGV-UHFFFAOYSA-N
XLogP4.34
TPSA85.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide (CID 90456267) is N-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is Cc1ncc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cnc(OC2COC2)c(N2CCOCC2)c1.
What is the InChIKey of N-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
The InChIKey is UEFADVPYCZXKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N4O4/c1-16-22(11-20(13-30-16)32-24(34)17-3-2-4-19(9-17)26(27,28)29)18-10-23(33-5-7-35-8-6-33)25(31-12-18)37-21-14-36-15-21/h2-4,9-13,21H,5-8,14-15H2,1H3,(H,32,34).
What are the key properties of N-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide?
N-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide has a molecular weight of 514.50 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-methyl-5-[5-morpholin-4-yl-6-(oxetan-3-yloxy)-3-pyridinyl]-3-pyridinyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 90456267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).