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

C19H21N3O4 — CID 645446

IUPAC2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(C)cc(COC)c(C#N)c1=O
InChIInChI=1S/C19H21N3O4/c1-4-26-17-8-6-5-7-16(17)21-18(23)11-22-13(2)9-14(12-25-3)15(10-20)19(22)24/h5-9H,4,11-12H2,1-3H3,(H,21,23)
InChIKeyOQIFJUPIQCRZEV-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.21
Rot. Bonds7

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

2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide (PubChem CID 645446) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide
PubChem CID645446
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Name2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide
SMILESCCOc1ccccc1NC(=O)Cn1c(C)cc(COC)c(C#N)c1=O
InChIInChI=1S/C19H21N3O4/c1-4-26-17-8-6-5-7-16(17)21-18(23)11-22-13(2)9-14(12-25-3)15(10-20)19(22)24/h5-9H,4,11-12H2,1-3H3,(H,21,23)
InChIKeyOQIFJUPIQCRZEV-UHFFFAOYSA-N
XLogP2.21
TPSA93.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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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-ethoxyphenyl)acetamide?
The IUPAC name of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide (CID 645446) is 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide.
What is the SMILES notation for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide?
The canonical SMILES for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide is CCOc1ccccc1NC(=O)Cn1c(C)cc(COC)c(C#N)c1=O.
What is the InChIKey of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide?
The InChIKey is OQIFJUPIQCRZEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-4-26-17-8-6-5-7-16(17)21-18(23)11-22-13(2)9-14(12-25-3)15(10-20)19(22)24/h5-9H,4,11-12H2,1-3H3,(H,21,23).
What are the key properties of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide?
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(2-ethoxyphenyl)acetamide has a molecular weight of 355.39 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 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-ethoxyphenyl)acetamide is sourced from PubChem (CID 645446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).