6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile

C14H19N3O4 — CID 728870

IUPAC6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(CN2CCOCC2)c(O)n(CCO)c(=O)c1C#N
InChIInChI=1S/C14H19N3O4/c1-10-11(8-15)13(19)17(2-5-18)14(20)12(10)9-16-3-6-21-7-4-16/h18,20H,2-7,9H2,1H3
InChIKeyWUUHKCNYGBLTOQ-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.44
Rot. Bonds4

About 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile

6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile (PubChem CID 728870) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
PubChem CID728870
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(CN2CCOCC2)c(O)n(CCO)c(=O)c1C#N
InChIInChI=1S/C14H19N3O4/c1-10-11(8-15)13(19)17(2-5-18)14(20)12(10)9-16-3-6-21-7-4-16/h18,20H,2-7,9H2,1H3
InChIKeyWUUHKCNYGBLTOQ-UHFFFAOYSA-N
XLogP-0.44
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile (CID 728870) is 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile is Cc1c(CN2CCOCC2)c(O)n(CCO)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is WUUHKCNYGBLTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-10-11(8-15)13(19)17(2-5-18)14(20)12(10)9-16-3-6-21-7-4-16/h18,20H,2-7,9H2,1H3.
What are the key properties of 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile?
6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 293.32 g/mol, XLogP of -0.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 728870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).