2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide

C22H19F3N2O3 — CID 16852591

IUPAC2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(=O)c(OCc2ccccc2)cn1CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H19F3N2O3/c1-15-11-19(28)20(30-14-16-7-3-2-4-8-16)12-27(15)13-21(29)26-18-10-6-5-9-17(18)22(23,24)25/h2-12H,13-14H2,1H3,(H,26,29)
InChIKeyHRABJUQDXNYYKI-UHFFFAOYSA-N
MW416.40 g/mol
LogP4.39
Rot. Bonds6

About 2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 16852591) has the molecular formula C22H19F3N2O3 and a molecular weight of 416.40 g/mol. Its IUPAC name is 2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID16852591
Molecular FormulaC22H19F3N2O3
Molecular Weight416.40 g/mol
Exact Mass416.13
IUPAC Name2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(=O)c(OCc2ccccc2)cn1CC(=O)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C22H19F3N2O3/c1-15-11-19(28)20(30-14-16-7-3-2-4-8-16)12-27(15)13-21(29)26-18-10-6-5-9-17(18)22(23,24)25/h2-12H,13-14H2,1H3,(H,26,29)
InChIKeyHRABJUQDXNYYKI-UHFFFAOYSA-N
XLogP4.39
TPSA60.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.40
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 16852591) is 2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide is Cc1cc(=O)c(OCc2ccccc2)cn1CC(=O)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HRABJUQDXNYYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F3N2O3/c1-15-11-19(28)20(30-14-16-7-3-2-4-8-16)12-27(15)13-21(29)26-18-10-6-5-9-17(18)22(23,24)25/h2-12H,13-14H2,1H3,(H,26,29).
What are the key properties of 2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 416.40 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-4-oxo-5-phenylmethoxy-1-pyridinyl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 16852591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).