2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide

C18H16F3N3O3 — CID 1045717

IUPAC2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOCc1cc(C)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c1C#N
InChIInChI=1S/C18H16F3N3O3/c1-11-6-12(10-27-2)15(8-22)17(26)24(11)9-16(25)23-14-5-3-4-13(7-14)18(19,20)21/h3-7H,9-10H2,1-2H3,(H,23,25)
InChIKeyGMCXMWCWPKUYJQ-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.83
Rot. Bonds5

About 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide

2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide (PubChem CID 1045717) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
PubChem CID1045717
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC Name2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
SMILESCOCc1cc(C)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c1C#N
InChIInChI=1S/C18H16F3N3O3/c1-11-6-12(10-27-2)15(8-22)17(26)24(11)9-16(25)23-14-5-3-4-13(7-14)18(19,20)21/h3-7H,9-10H2,1-2H3,(H,23,25)
InChIKeyGMCXMWCWPKUYJQ-UHFFFAOYSA-N
XLogP2.83
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide (CID 1045717) is 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide is COCc1cc(C)n(CC(=O)Nc2cccc(C(F)(F)F)c2)c(=O)c1C#N.
What is the InChIKey of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is GMCXMWCWPKUYJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-11-6-12(10-27-2)15(8-22)17(26)24(11)9-16(25)23-14-5-3-4-13(7-14)18(19,20)21/h3-7H,9-10H2,1-2H3,(H,23,25).
What are the key properties of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide?
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 379.34 g/mol, XLogP of 2.83, 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-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-[3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1045717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).