2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide

C17H14F3N3O3 — CID 167836574

IUPAC2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(N(CC(F)(F)F)C(=O)COc2cncc(C#N)c2)cc1
InChIInChI=1S/C17H14F3N3O3/c1-25-14-4-2-13(3-5-14)23(11-17(18,19)20)16(24)10-26-15-6-12(7-21)8-22-9-15/h2-6,8-9H,10-11H2,1H3
InChIKeyMSMIDYWQUNLRPM-UHFFFAOYSA-N
MW365.31 g/mol
LogP2.94
Rot. Bonds6

About 2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide

2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 167836574) has the molecular formula C17H14F3N3O3 and a molecular weight of 365.31 g/mol. Its IUPAC name is 2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID167836574
Molecular FormulaC17H14F3N3O3
Molecular Weight365.31 g/mol
Exact Mass365.10
IUPAC Name2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCOc1ccc(N(CC(F)(F)F)C(=O)COc2cncc(C#N)c2)cc1
InChIInChI=1S/C17H14F3N3O3/c1-25-14-4-2-13(3-5-14)23(11-17(18,19)20)16(24)10-26-15-6-12(7-21)8-22-9-15/h2-6,8-9H,10-11H2,1H3
InChIKeyMSMIDYWQUNLRPM-UHFFFAOYSA-N
XLogP2.94
TPSA75.45 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide (CID 167836574) is 2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide is COc1ccc(N(CC(F)(F)F)C(=O)COc2cncc(C#N)c2)cc1.
What is the InChIKey of 2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is MSMIDYWQUNLRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N3O3/c1-25-14-4-2-13(3-5-14)23(11-17(18,19)20)16(24)10-26-15-6-12(7-21)8-22-9-15/h2-6,8-9H,10-11H2,1H3.
What are the key properties of 2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide?
2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 365.31 g/mol, XLogP of 2.94, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyano-3-pyridinyl)oxy]-N-(4-methoxyphenyl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 167836574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).