4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide

C25H23F3N2O6 — CID 90061772

IUPAC4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCCO
InChIInChI=1S/C25H23F3N2O6/c1-34-21-10-8-18(30-23(21)15-3-6-17(7-4-15)25(26,27)28)19(32)14-29-24(33)16-5-9-20(36-12-11-31)22(13-16)35-2/h3-10,13,31H,11-12,14H2,1-2H3,(H,29,33)
InChIKeyNKSCJVCJFDZSNE-UHFFFAOYSA-N
MW504.46 g/mol
LogP3.77
Rot. Bonds10

About 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide

4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide (PubChem CID 90061772) has the molecular formula C25H23F3N2O6 and a molecular weight of 504.46 g/mol. Its IUPAC name is 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide.

Molecular Properties

Compound Name4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide
PubChem CID90061772
Molecular FormulaC25H23F3N2O6
Molecular Weight504.46 g/mol
Exact Mass504.15
IUPAC Name4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide
SMILESCOc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCCO
InChIInChI=1S/C25H23F3N2O6/c1-34-21-10-8-18(30-23(21)15-3-6-17(7-4-15)25(26,27)28)19(32)14-29-24(33)16-5-9-20(36-12-11-31)22(13-16)35-2/h3-10,13,31H,11-12,14H2,1-2H3,(H,29,33)
InChIKeyNKSCJVCJFDZSNE-UHFFFAOYSA-N
XLogP3.77
TPSA106.98 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide?
The IUPAC name of 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide (CID 90061772) is 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide.
What is the SMILES notation for 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide?
The canonical SMILES for 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide is COc1cc(C(=O)NCC(=O)c2ccc(OC)c(-c3ccc(C(F)(F)F)cc3)n2)ccc1OCCO.
What is the InChIKey of 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide?
The InChIKey is NKSCJVCJFDZSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N2O6/c1-34-21-10-8-18(30-23(21)15-3-6-17(7-4-15)25(26,27)28)19(32)14-29-24(33)16-5-9-20(36-12-11-31)22(13-16)35-2/h3-10,13,31H,11-12,14H2,1-2H3,(H,29,33).
What are the key properties of 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide?
4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide has a molecular weight of 504.46 g/mol, XLogP of 3.77, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxyethoxy)-3-methoxy-N-[2-[5-methoxy-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]-2-oxoethyl]benzamide is sourced from PubChem (CID 90061772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).