6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile

C15H19N3O3 — CID 647740

IUPAC6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
SMILESC=CCn1c(O)c(CN2CCOCC2)c(C)c(C#N)c1=O
InChIInChI=1S/C15H19N3O3/c1-3-4-18-14(19)12(9-16)11(2)13(15(18)20)10-17-5-7-21-8-6-17/h3,20H,1,4-8,10H2,2H3
InChIKeyUJALSDYECBSPMG-UHFFFAOYSA-N
MW289.33 g/mol
LogP0.75
Rot. Bonds4

About 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile

6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile (PubChem CID 647740) has the molecular formula C15H19N3O3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
PubChem CID647740
Molecular FormulaC15H19N3O3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile
SMILESC=CCn1c(O)c(CN2CCOCC2)c(C)c(C#N)c1=O
InChIInChI=1S/C15H19N3O3/c1-3-4-18-14(19)12(9-16)11(2)13(15(18)20)10-17-5-7-21-8-6-17/h3,20H,1,4-8,10H2,2H3
InChIKeyUJALSDYECBSPMG-UHFFFAOYSA-N
XLogP0.75
TPSA78.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The IUPAC name of 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile (CID 647740) is 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile.
What is the SMILES notation for 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The canonical SMILES for 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile is C=CCn1c(O)c(CN2CCOCC2)c(C)c(C#N)c1=O.
What is the InChIKey of 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
The InChIKey is UJALSDYECBSPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-3-4-18-14(19)12(9-16)11(2)13(15(18)20)10-17-5-7-21-8-6-17/h3,20H,1,4-8,10H2,2H3.
What are the key properties of 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile?
6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile has a molecular weight of 289.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-4-methyl-5-(morpholin-4-ylmethyl)-2-oxo-1-prop-2-enylpyridine-3-carbonitrile is sourced from PubChem (CID 647740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).