methyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate

C17H15F3N2O3 — CID 67202560

IUPACmethyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N(C)C(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O3/c1-22(13-8-5-9-21-15(13)16(24)25-2)14(23)10-11-6-3-4-7-12(11)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeyVYBXGXBUSPFGTD-UHFFFAOYSA-N
MW352.31 g/mol
LogP3.09
Rot. Bonds4

About methyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate

methyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate (PubChem CID 67202560) has the molecular formula C17H15F3N2O3 and a molecular weight of 352.31 g/mol. Its IUPAC name is methyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate
PubChem CID67202560
Molecular FormulaC17H15F3N2O3
Molecular Weight352.31 g/mol
Exact Mass352.10
IUPAC Namemethyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate
SMILESCOC(=O)c1ncccc1N(C)C(=O)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3N2O3/c1-22(13-8-5-9-21-15(13)16(24)25-2)14(23)10-11-6-3-4-7-12(11)17(18,19)20/h3-9H,10H2,1-2H3
InChIKeyVYBXGXBUSPFGTD-UHFFFAOYSA-N
XLogP3.09
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate?
The IUPAC name of methyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate (CID 67202560) is methyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate is COC(=O)c1ncccc1N(C)C(=O)Cc1ccccc1C(F)(F)F.
What is the InChIKey of methyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate?
The InChIKey is VYBXGXBUSPFGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O3/c1-22(13-8-5-9-21-15(13)16(24)25-2)14(23)10-11-6-3-4-7-12(11)17(18,19)20/h3-9H,10H2,1-2H3.
What are the key properties of methyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate?
methyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate has a molecular weight of 352.31 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[methyl-[2-[2-(trifluoromethyl)phenyl]acetyl]amino]pyridine-2-carboxylate is sourced from PubChem (CID 67202560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).