2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide

C17H15F2N3O3 — CID 86207798

IUPAC2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(OC(F)F)cc2)c(=O)c1C#N
InChIInChI=1S/C17H15F2N3O3/c1-10-7-11(2)22(16(24)14(10)8-20)9-15(23)21-12-3-5-13(6-4-12)25-17(18)19/h3-7,17H,9H2,1-2H3,(H,21,23)
InChIKeyPVFJQXSTSKUOMT-UHFFFAOYSA-N
MW347.32 g/mol
LogP2.58
Rot. Bonds5

About 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide

2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide (PubChem CID 86207798) has the molecular formula C17H15F2N3O3 and a molecular weight of 347.32 g/mol. Its IUPAC name is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide
PubChem CID86207798
Molecular FormulaC17H15F2N3O3
Molecular Weight347.32 g/mol
Exact Mass347.11
IUPAC Name2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide
SMILESCc1cc(C)n(CC(=O)Nc2ccc(OC(F)F)cc2)c(=O)c1C#N
InChIInChI=1S/C17H15F2N3O3/c1-10-7-11(2)22(16(24)14(10)8-20)9-15(23)21-12-3-5-13(6-4-12)25-17(18)19/h3-7,17H,9H2,1-2H3,(H,21,23)
InChIKeyPVFJQXSTSKUOMT-UHFFFAOYSA-N
XLogP2.58
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-fluorophenyl)acetamide
CID 5306782
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(4-propan-2-ylphenyl)acetamide
CID 2746405
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[2-(difluoromethoxy)phenyl]acetamide
CID 86207797
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzoic acid
CID 53331259
butyl 4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]benzoate
CID 126415850
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(3-methylphenyl)acetamide
CID 22424061
N-(3-bromophenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126417064
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-(3-ethoxypropyl)benzamide
CID 46346596
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,5-difluorophenyl)acetamide
CID 8721534
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-(2,6-dichlorophenyl)acetamide
CID 126415856
4-[[2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetyl]amino]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 46346575
N-(2-bromo-4,5-dimethylphenyl)-2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)acetamide
CID 126415451

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The IUPAC name of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide (CID 86207798) is 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide.
What is the SMILES notation for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The canonical SMILES for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide is Cc1cc(C)n(CC(=O)Nc2ccc(OC(F)F)cc2)c(=O)c1C#N.
What is the InChIKey of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide?
The InChIKey is PVFJQXSTSKUOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2N3O3/c1-10-7-11(2)22(16(24)14(10)8-20)9-15(23)21-12-3-5-13(6-4-12)25-17(18)19/h3-7,17H,9H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide?
2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide has a molecular weight of 347.32 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyano-4,6-dimethyl-2-oxo-1-pyridinyl)-N-[4-(difluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 86207798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).