1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile

C16H18N4O3 — CID 752064

IUPAC1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCOCc1cc(C)n(CC(=O)n2nc(C)cc2C)c(=O)c1C#N
InChIInChI=1S/C16H18N4O3/c1-10-5-12(3)20(18-10)15(21)8-19-11(2)6-13(9-23-4)14(7-17)16(19)22/h5-6H,8-9H2,1-4H3
InChIKeyKHHZDFFQHGVGLI-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.33
Rot. Bonds4

About 1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile

1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile (PubChem CID 752064) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile
PubChem CID752064
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile
SMILESCOCc1cc(C)n(CC(=O)n2nc(C)cc2C)c(=O)c1C#N
InChIInChI=1S/C16H18N4O3/c1-10-5-12(3)20(18-10)15(21)8-19-11(2)6-13(9-23-4)14(7-17)16(19)22/h5-6H,8-9H2,1-4H3
InChIKeyKHHZDFFQHGVGLI-UHFFFAOYSA-N
XLogP1.33
TPSA89.91 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile (CID 752064) is 1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile is COCc1cc(C)n(CC(=O)n2nc(C)cc2C)c(=O)c1C#N.
What is the InChIKey of 1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile?
The InChIKey is KHHZDFFQHGVGLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-10-5-12(3)20(18-10)15(21)8-19-11(2)6-13(9-23-4)14(7-17)16(19)22/h5-6H,8-9H2,1-4H3.
What are the key properties of 1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile?
1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile has a molecular weight of 314.35 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3,5-dimethylpyrazol-1-yl)-2-oxoethyl]-4-(methoxymethyl)-6-methyl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 752064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).