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

C19H21N3O3 — CID 967792

IUPAC2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide
SMILESCOCc1cc(C)n(CC(=O)Nc2c(C)cccc2C)c(=O)c1C#N
InChIInChI=1S/C19H21N3O3/c1-12-6-5-7-13(2)18(12)21-17(23)10-22-14(3)8-15(11-25-4)16(9-20)19(22)24/h5-8H,10-11H2,1-4H3,(H,21,23)
InChIKeyBTQNRLPDPOAICZ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.43
Rot. Bonds5

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

2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide (PubChem CID 967792) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide
PubChem CID967792
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide
SMILESCOCc1cc(C)n(CC(=O)Nc2c(C)cccc2C)c(=O)c1C#N
InChIInChI=1S/C19H21N3O3/c1-12-6-5-7-13(2)18(12)21-17(23)10-22-14(3)8-15(11-25-4)16(9-20)19(22)24/h5-8H,10-11H2,1-4H3,(H,21,23)
InChIKeyBTQNRLPDPOAICZ-UHFFFAOYSA-N
XLogP2.43
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.43
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-(2,6-dimethylphenyl)acetamide?
The IUPAC name of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide (CID 967792) is 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide?
The canonical SMILES for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide is COCc1cc(C)n(CC(=O)Nc2c(C)cccc2C)c(=O)c1C#N.
What is the InChIKey of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide?
The InChIKey is BTQNRLPDPOAICZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-12-6-5-7-13(2)18(12)21-17(23)10-22-14(3)8-15(11-25-4)16(9-20)19(22)24/h5-8H,10-11H2,1-4H3,(H,21,23).
What are the key properties of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide?
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2,6-dimethylphenyl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.43, 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-(2,6-dimethylphenyl)acetamide is sourced from PubChem (CID 967792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).