2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide

C16H13F2N3O2 — CID 75431421

IUPAC2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(F)cc2F)c(C#N)c(C)n1
InChIInChI=1S/C16H13F2N3O2/c1-9-5-15(12(7-19)10(2)20-9)23-8-16(22)21-14-4-3-11(17)6-13(14)18/h3-6H,8H2,1-2H3,(H,21,22)
InChIKeyFPKVNTCOSJMAJP-UHFFFAOYSA-N
MW317.30 g/mol
LogP2.87
Rot. Bonds4

About 2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide

2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide (PubChem CID 75431421) has the molecular formula C16H13F2N3O2 and a molecular weight of 317.30 g/mol. Its IUPAC name is 2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide
PubChem CID75431421
Molecular FormulaC16H13F2N3O2
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide
SMILESCc1cc(OCC(=O)Nc2ccc(F)cc2F)c(C#N)c(C)n1
InChIInChI=1S/C16H13F2N3O2/c1-9-5-15(12(7-19)10(2)20-9)23-8-16(22)21-14-4-3-11(17)6-13(14)18/h3-6H,8H2,1-2H3,(H,21,22)
InChIKeyFPKVNTCOSJMAJP-UHFFFAOYSA-N
XLogP2.87
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2-(2-methylimidazo[1,2-a]pyridin-8-yl)oxyacetamide
CID 110500320
2-(4-chloro-2-methylphenoxy)-N-(2,4-difluorophenyl)acetamide
CID 3945608
N-(2,4-difluorophenyl)-2-(4-methylphenoxy)acetamide
CID 755254
N-(2,4-difluorophenyl)-2-[[2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-5-methoxy-4-pyridinyl]oxy]acetamide
CID 22585127
2-(4-bromo-2-fluorophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2523027
N-[3-[(3-cyano-2,6-dimethyl-4-pyridinyl)amino]phenyl]-2-(2-methoxyphenoxy)acetamide
CID 133396942
2-(2,4-dibromophenoxy)-N-(2,4-difluorophenyl)acetamide
CID 2632796
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2-methylphenoxy)acetate
CID 2555443
N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7815061
N-(2-acetamido-5-methylphenyl)-2-(2,4-difluorophenoxy)acetamide
CID 131890166
N-(2,4-difluorophenyl)-2-[2-(2-fluoroanilino)-2-oxoethoxy]benzamide
CID 26360256
[2-(2,4-difluoroanilino)-2-oxoethyl] 2-(2,3-dimethylphenoxy)acetate
CID 2593344

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide (CID 75431421) is 2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide is Cc1cc(OCC(=O)Nc2ccc(F)cc2F)c(C#N)c(C)n1.
What is the InChIKey of 2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide?
The InChIKey is FPKVNTCOSJMAJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N3O2/c1-9-5-15(12(7-19)10(2)20-9)23-8-16(22)21-14-4-3-11(17)6-13(14)18/h3-6H,8H2,1-2H3,(H,21,22).
What are the key properties of 2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide?
2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide has a molecular weight of 317.30 g/mol, XLogP of 2.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyano-2,6-dimethyl-4-pyridinyl)oxy]-N-(2,4-difluorophenyl)acetamide is sourced from PubChem (CID 75431421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).