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

C18H19N3O3 — CID 4904751

IUPAC2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
SMILESCOCc1cc(C)n(CC(=O)Nc2cccc(C)c2)c(=O)c1C#N
InChIInChI=1S/C18H19N3O3/c1-12-5-4-6-15(7-12)20-17(22)10-21-13(2)8-14(11-24-3)16(9-19)18(21)23/h4-8H,10-11H2,1-3H3,(H,20,22)
InChIKeyGGZQTYWSMSBEGV-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.12
Rot. Bonds5

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

2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide (PubChem CID 4904751) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
PubChem CID4904751
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide
SMILESCOCc1cc(C)n(CC(=O)Nc2cccc(C)c2)c(=O)c1C#N
InChIInChI=1S/C18H19N3O3/c1-12-5-4-6-15(7-12)20-17(22)10-21-13(2)8-14(11-24-3)16(9-19)18(21)23/h4-8H,10-11H2,1-3H3,(H,20,22)
InChIKeyGGZQTYWSMSBEGV-UHFFFAOYSA-N
XLogP2.12
TPSA84.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.12
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-methylphenyl)acetamide?
The IUPAC name of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide (CID 4904751) is 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide.
What is the SMILES notation for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide?
The canonical SMILES for 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide is COCc1cc(C)n(CC(=O)Nc2cccc(C)c2)c(=O)c1C#N.
What is the InChIKey of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide?
The InChIKey is GGZQTYWSMSBEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-12-5-4-6-15(7-12)20-17(22)10-21-13(2)8-14(11-24-3)16(9-19)18(21)23/h4-8H,10-11H2,1-3H3,(H,20,22).
What are the key properties of 2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide?
2-[3-cyano-4-(methoxymethyl)-6-methyl-2-oxo-1-pyridinyl]-N-(3-methylphenyl)acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.12, 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-methylphenyl)acetamide is sourced from PubChem (CID 4904751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).