methyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate

C17H15F3N2O4 — CID 71076831

IUPACmethyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)Cc2ccc(OC)cc2C(F)(F)F)cn1
InChIInChI=1S/C17H15F3N2O4/c1-25-12-5-3-10(13(8-12)17(18,19)20)7-15(23)22-11-4-6-14(21-9-11)16(24)26-2/h3-6,8-9H,7H2,1-2H3,(H,22,23)
InChIKeyZZOAFWUWBBOZHP-UHFFFAOYSA-N
MW368.31 g/mol
LogP3.08
Rot. Bonds5

About methyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate

methyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate (PubChem CID 71076831) has the molecular formula C17H15F3N2O4 and a molecular weight of 368.31 g/mol. Its IUPAC name is methyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate
PubChem CID71076831
Molecular FormulaC17H15F3N2O4
Molecular Weight368.31 g/mol
Exact Mass368.10
IUPAC Namemethyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(NC(=O)Cc2ccc(OC)cc2C(F)(F)F)cn1
InChIInChI=1S/C17H15F3N2O4/c1-25-12-5-3-10(13(8-12)17(18,19)20)7-15(23)22-11-4-6-14(21-9-11)16(24)26-2/h3-6,8-9H,7H2,1-2H3,(H,22,23)
InChIKeyZZOAFWUWBBOZHP-UHFFFAOYSA-N
XLogP3.08
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate (CID 71076831) is methyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate is COC(=O)c1ccc(NC(=O)Cc2ccc(OC)cc2C(F)(F)F)cn1.
What is the InChIKey of methyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate?
The InChIKey is ZZOAFWUWBBOZHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O4/c1-25-12-5-3-10(13(8-12)17(18,19)20)7-15(23)22-11-4-6-14(21-9-11)16(24)26-2/h3-6,8-9H,7H2,1-2H3,(H,22,23).
What are the key properties of methyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate?
methyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate has a molecular weight of 368.31 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[[2-[4-methoxy-2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 71076831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).