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

C19H21N3O3 — CID 650405

IUPAC2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide
SMILESCOCc1cc(C)n(CC(=O)NC(C)c2ccccc2)c(=O)c1C#N
InChIInChI=1S/C19H21N3O3/c1-13-9-16(12-25-3)17(10-20)19(24)22(13)11-18(23)21-14(2)15-7-5-4-6-8-15/h4-9,14H,11-12H2,1-3H3,(H,21,23)
InChIKeyPSOZOOBNNYBSGJ-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.05
Rot. Bonds6

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

2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide (PubChem CID 650405) 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-(1-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide
PubChem CID650405
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide
SMILESCOCc1cc(C)n(CC(=O)NC(C)c2ccccc2)c(=O)c1C#N
InChIInChI=1S/C19H21N3O3/c1-13-9-16(12-25-3)17(10-20)19(24)22(13)11-18(23)21-14(2)15-7-5-4-6-8-15/h4-9,14H,11-12H2,1-3H3,(H,21,23)
InChIKeyPSOZOOBNNYBSGJ-UHFFFAOYSA-N
XLogP2.05
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.05
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-(1-phenylethyl)acetamide?
The IUPAC name of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide (CID 650405) is 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide.
What is the SMILES notation for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide?
The canonical SMILES for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide is COCc1cc(C)n(CC(=O)NC(C)c2ccccc2)c(=O)c1C#N.
What is the InChIKey of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide?
The InChIKey is PSOZOOBNNYBSGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-13-9-16(12-25-3)17(10-20)19(24)22(13)11-18(23)21-14(2)15-7-5-4-6-8-15/h4-9,14H,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide?
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(1-phenylethyl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 2.05, 6 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-(1-phenylethyl)acetamide is sourced from PubChem (CID 650405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).