4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile

C15H19N3O4 — CID 5306783

IUPAC4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile
SMILESCOCc1cc(C)n(CC(=O)N2CCOCC2)c(=O)c1C#N
InChIInChI=1S/C15H19N3O4/c1-11-7-12(10-21-2)13(8-16)15(20)18(11)9-14(19)17-3-5-22-6-4-17/h7H,3-6,9-10H2,1-2H3
InChIKeyJXMUIJJFYZVEKK-UHFFFAOYSA-N
MW305.33 g/mol
LogP0.03
Rot. Bonds4

About 4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile

4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 5306783) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile
PubChem CID5306783
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile
SMILESCOCc1cc(C)n(CC(=O)N2CCOCC2)c(=O)c1C#N
InChIInChI=1S/C15H19N3O4/c1-11-7-12(10-21-2)13(8-16)15(20)18(11)9-14(19)17-3-5-22-6-4-17/h7H,3-6,9-10H2,1-2H3
InChIKeyJXMUIJJFYZVEKK-UHFFFAOYSA-N
XLogP0.03
TPSA84.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile (CID 5306783) is 4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile is COCc1cc(C)n(CC(=O)N2CCOCC2)c(=O)c1C#N.
What is the InChIKey of 4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is JXMUIJJFYZVEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-11-7-12(10-21-2)13(8-16)15(20)18(11)9-14(19)17-3-5-22-6-4-17/h7H,3-6,9-10H2,1-2H3.
What are the key properties of 4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile?
4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 305.33 g/mol, XLogP of 0.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-6-methyl-1-(2-morpholin-4-yl-2-oxoethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 5306783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).