3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide

C24H21F3N2O6 — CID 90061932

IUPAC3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1OC
InChIInChI=1S/C24H21F3N2O6/c1-32-19-10-6-15(12-21(19)34-3)23(31)28-13-18(30)17-9-11-20(33-2)22(29-17)14-4-7-16(8-5-14)35-24(25,26)27/h4-12H,13H2,1-3H3,(H,28,31)
InChIKeyKKWVILWKYOJMMD-UHFFFAOYSA-N
MW490.43 g/mol
LogP4.29
Rot. Bonds9

About 3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide

3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide (PubChem CID 90061932) has the molecular formula C24H21F3N2O6 and a molecular weight of 490.43 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide
PubChem CID90061932
Molecular FormulaC24H21F3N2O6
Molecular Weight490.43 g/mol
Exact Mass490.14
IUPAC Name3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide
SMILESCOc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1OC
InChIInChI=1S/C24H21F3N2O6/c1-32-19-10-6-15(12-21(19)34-3)23(31)28-13-18(30)17-9-11-20(33-2)22(29-17)14-4-7-16(8-5-14)35-24(25,26)27/h4-12H,13H2,1-3H3,(H,28,31)
InChIKeyKKWVILWKYOJMMD-UHFFFAOYSA-N
XLogP4.29
TPSA95.98 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.43
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide (CID 90061932) is 3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide is COc1ccc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(OC(F)(F)F)cc3)n2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide?
The InChIKey is KKWVILWKYOJMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N2O6/c1-32-19-10-6-15(12-21(19)34-3)23(31)28-13-18(30)17-9-11-20(33-2)22(29-17)14-4-7-16(8-5-14)35-24(25,26)27/h4-12H,13H2,1-3H3,(H,28,31).
What are the key properties of 3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide?
3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide has a molecular weight of 490.43 g/mol, XLogP of 4.29, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[2-[5-methoxy-6-[4-(trifluoromethoxy)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 90061932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).