6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile

C13H17N3O3 — CID 2763958

IUPAC6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(CN2CCOCC2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C13H17N3O3/c1-9-10(7-14)12(17)15(2)13(18)11(9)8-16-3-5-19-6-4-16/h18H,3-6,8H2,1-2H3
InChIKeyQBZBCWCKBBKZBI-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.10
Rot. Bonds2

About 6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile

6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 2763958) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
PubChem CID2763958
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(CN2CCOCC2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C13H17N3O3/c1-9-10(7-14)12(17)15(2)13(18)11(9)8-16-3-5-19-6-4-16/h18H,3-6,8H2,1-2H3
InChIKeyQBZBCWCKBBKZBI-UHFFFAOYSA-N
XLogP0.10
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile (CID 2763958) is 6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile is Cc1c(CN2CCOCC2)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is QBZBCWCKBBKZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-9-10(7-14)12(17)15(2)13(18)11(9)8-16-3-5-19-6-4-16/h18H,3-6,8H2,1-2H3.
What are the key properties of 6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 263.30 g/mol, XLogP of 0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,4-dimethyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2763958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).