4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide

C24H20F4N2O3 — CID 123628649

IUPAC4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
SMILESCCc1ccc(C(=O)NC2(c3ccc(OC(F)(F)F)c(F)c3)CCOc3cccnc32)cc1
InChIInChI=1S/C24H20F4N2O3/c1-2-15-5-7-16(8-6-15)22(31)30-23(11-13-32-20-4-3-12-29-21(20)23)17-9-10-19(18(25)14-17)33-24(26,27)28/h3-10,12,14H,2,11,13H2,1H3,(H,30,31)
InChIKeyFMHORMQRGDJETO-UHFFFAOYSA-N
MW460.43 g/mol
LogP5.14
Rot. Bonds5

About 4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide

4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide (PubChem CID 123628649) has the molecular formula C24H20F4N2O3 and a molecular weight of 460.43 g/mol. Its IUPAC name is 4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide.

Molecular Properties

Compound Name4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
PubChem CID123628649
Molecular FormulaC24H20F4N2O3
Molecular Weight460.43 g/mol
Exact Mass460.14
IUPAC Name4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
SMILESCCc1ccc(C(=O)NC2(c3ccc(OC(F)(F)F)c(F)c3)CCOc3cccnc32)cc1
InChIInChI=1S/C24H20F4N2O3/c1-2-15-5-7-16(8-6-15)22(31)30-23(11-13-32-20-4-3-12-29-21(20)23)17-9-10-19(18(25)14-17)33-24(26,27)28/h3-10,12,14H,2,11,13H2,1H3,(H,30,31)
InChIKeyFMHORMQRGDJETO-UHFFFAOYSA-N
XLogP5.14
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.43
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The IUPAC name of 4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide (CID 123628649) is 4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide.
What is the SMILES notation for 4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The canonical SMILES for 4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide is CCc1ccc(C(=O)NC2(c3ccc(OC(F)(F)F)c(F)c3)CCOc3cccnc32)cc1.
What is the InChIKey of 4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
The InChIKey is FMHORMQRGDJETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F4N2O3/c1-2-15-5-7-16(8-6-15)22(31)30-23(11-13-32-20-4-3-12-29-21(20)23)17-9-10-19(18(25)14-17)33-24(26,27)28/h3-10,12,14H,2,11,13H2,1H3,(H,30,31).
What are the key properties of 4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide?
4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide has a molecular weight of 460.43 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide is sourced from PubChem (CID 123628649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).