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

C15H17N3O3 — CID 91089130

IUPAC6-hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(C=C=CN2CCOCC2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H17N3O3/c1-11-12(4-3-5-18-6-8-21-9-7-18)14(19)17(2)15(20)13(11)10-16/h4-5,19H,6-9H2,1-2H3
InChIKeyDGVQZFGHHPQJCQ-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.73
Rot. Bonds2

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

6-hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile (PubChem CID 91089130) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 6-hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile
PubChem CID91089130
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name6-hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile
SMILESCc1c(C=C=CN2CCOCC2)c(O)n(C)c(=O)c1C#N
InChIInChI=1S/C15H17N3O3/c1-11-12(4-3-5-18-6-8-21-9-7-18)14(19)17(2)15(20)13(11)10-16/h4-5,19H,6-9H2,1-2H3
InChIKeyDGVQZFGHHPQJCQ-UHFFFAOYSA-N
XLogP0.73
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile with MolForge

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Related Compounds

6-Hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 647740
6-Hydroxy-1-(2-hydroxyethyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 728870
6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1H-pyridine-3-carbonitrile
CID 13115633
6-Hydroxy-4-methyl-1-[2-(morpholin-4-yl)ethyl]-2-oxo-1,2-dihydropyridine-3-carbonitrile
CID 13507321
1-Methyl-4-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
CID 141316176
1-(2-Ethoxyethyl)-2-hydroxy-4-methyl-6-oxopyridine-3-carbonitrile;methane
CID 161039522
2-Hydroxy-4-methyl-6-oxo-1-(2-propoxyethyl)pyridine-3-carbonitrile
CID 162372588
6-Hydroxy-1,4-dimethyl-5-(morpholinomethyl)-2-oxo-1,2-dihydro-3-pyridinecarbonitrile
CID 2763958
6-Hydroxy-1-(3-hydroxypropyl)-4-methyl-5-(morpholin-4-ylmethyl)-2-oxohydropyri dine-3-carbonitrile
CID 4164458
6-Hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-propylhydropyridine-3-carb onitrile
CID 4169236
6-Hydroxy-4-methyl-5-(morpholin-4-ium-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
CID 4366951
1-Ethyl-6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxopyridine-3-carbonitrile
CID 21230284

Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile (CID 91089130) is 6-hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile is Cc1c(C=C=CN2CCOCC2)c(O)n(C)c(=O)c1C#N.
What is the InChIKey of 6-hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile?
The InChIKey is DGVQZFGHHPQJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-12(4-3-5-18-6-8-21-9-7-18)14(19)17(2)15(20)13(11)10-16/h4-5,19H,6-9H2,1-2H3.
What are the key properties of 6-hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile?
6-hydroxy-1,4-dimethyl-5-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile has a molecular weight of 287.32 g/mol, XLogP of 0.73, 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-(3-morpholin-4-ylpropa-1,2-dienyl)-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 91089130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).