6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

C15H13F3N2O3 — CID 134010368

IUPAC6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cn1
InChIInChI=1S/C15H13F3N2O3/c1-22-13-7-2-10(8-19-13)14(21)20-11-3-5-12(6-4-11)23-9-15(16,17)18/h2-8H,9H2,1H3,(H,20,21)
InChIKeyICPJKORDKAYLDA-UHFFFAOYSA-N
MW326.27 g/mol
LogP3.28
Rot. Bonds5

About 6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide

6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 134010368) has the molecular formula C15H13F3N2O3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
PubChem CID134010368
Molecular FormulaC15H13F3N2O3
Molecular Weight326.27 g/mol
Exact Mass326.09
IUPAC Name6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cn1
InChIInChI=1S/C15H13F3N2O3/c1-22-13-7-2-10(8-19-13)14(21)20-11-3-5-12(6-4-11)23-9-15(16,17)18/h2-8H,9H2,1H3,(H,20,21)
InChIKeyICPJKORDKAYLDA-UHFFFAOYSA-N
XLogP3.28
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,2,2-trifluoroethoxy)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 55509070
N-pyridin-4-yl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 51323162
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
4-ethyl-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 134010354
N-[4-(2-hydroxyethyl)phenyl]-6-methoxypyridine-3-carboxamide
CID 61221260
N-[4-(2-methylpropanoylamino)phenyl]-4-(2,2,2-trifluoroethoxy)benzamide
CID 55606042
4-butoxy-N-(6-methoxy-3-pyridinyl)benzamide
CID 7478576
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methoxybenzamide
CID 2328696
4-(difluoromethoxy)-3-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]benzamide
CID 55474776
N-[3-(methanesulfonamido)-4-methoxyphenyl]-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
CID 24673292
N-[4-(2,2,2-trifluoroethoxy)phenyl]-2H-benzotriazole-5-carboxamide
CID 17468094
6-amino-N-(6-methoxy-3-pyridinyl)pyridine-3-carboxamide
CID 62060168

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide (CID 134010368) is 6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is COc1ccc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)cn1.
What is the InChIKey of 6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is ICPJKORDKAYLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O3/c1-22-13-7-2-10(8-19-13)14(21)20-11-3-5-12(6-4-11)23-9-15(16,17)18/h2-8H,9H2,1H3,(H,20,21).
What are the key properties of 6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide?
6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 326.27 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[4-(2,2,2-trifluoroethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 134010368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).