6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide

C13H11F3N2O2 — CID 135128755

IUPAC6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide
SMILESNC(=O)C1=NC(Oc2cccc(C(F)(F)F)c2)=CCC1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)20-11-6-2-5-10(18-11)12(17)19/h1,3-4,6-7H,2,5H2,(H2,17,19)
InChIKeyDRKGHDYXFLNFTM-UHFFFAOYSA-N
MW284.24 g/mol
LogP2.65
Rot. Bonds3

About 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide

6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide (PubChem CID 135128755) has the molecular formula C13H11F3N2O2 and a molecular weight of 284.24 g/mol. Its IUPAC name is 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide
PubChem CID135128755
Molecular FormulaC13H11F3N2O2
Molecular Weight284.24 g/mol
Exact Mass284.08
IUPAC Name6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide
SMILESNC(=O)C1=NC(Oc2cccc(C(F)(F)F)c2)=CCC1
InChIInChI=1S/C13H11F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)20-11-6-2-5-10(18-11)12(17)19/h1,3-4,6-7H,2,5H2,(H2,17,19)
InChIKeyDRKGHDYXFLNFTM-UHFFFAOYSA-N
XLogP2.65
TPSA64.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.24
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide?
The IUPAC name of 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide (CID 135128755) is 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide.
What is the SMILES notation for 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide?
The canonical SMILES for 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide is NC(=O)C1=NC(Oc2cccc(C(F)(F)F)c2)=CCC1.
What is the InChIKey of 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide?
The InChIKey is DRKGHDYXFLNFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2/c14-13(15,16)8-3-1-4-9(7-8)20-11-6-2-5-10(18-11)12(17)19/h1,3-4,6-7H,2,5H2,(H2,17,19).
What are the key properties of 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide?
6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide has a molecular weight of 284.24 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(trifluoromethyl)phenoxy]-3,4-dihydropyridine-2-carboxamide is sourced from PubChem (CID 135128755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).