5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile

C13H15N3O3 — CID 2772193

IUPAC5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C=O)c(N2CCOCC2)n(C)c(=O)c1C#N
InChIInChI=1S/C13H15N3O3/c1-9-10(7-14)13(18)15(2)12(11(9)8-17)16-3-5-19-6-4-16/h8H,3-6H2,1-2H3
InChIKeyTUQHZCJNHCCRBF-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.21
Rot. Bonds2

About 5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile

5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile (PubChem CID 2772193) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile.

Molecular Properties

Compound Name5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile
PubChem CID2772193
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile
SMILESCc1c(C=O)c(N2CCOCC2)n(C)c(=O)c1C#N
InChIInChI=1S/C13H15N3O3/c1-9-10(7-14)13(18)15(2)12(11(9)8-17)16-3-5-19-6-4-16/h8H,3-6H2,1-2H3
InChIKeyTUQHZCJNHCCRBF-UHFFFAOYSA-N
XLogP0.21
TPSA75.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile?
The IUPAC name of 5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile (CID 2772193) is 5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile.
What is the SMILES notation for 5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile?
The canonical SMILES for 5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile is Cc1c(C=O)c(N2CCOCC2)n(C)c(=O)c1C#N.
What is the InChIKey of 5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile?
The InChIKey is TUQHZCJNHCCRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-9-10(7-14)13(18)15(2)12(11(9)8-17)16-3-5-19-6-4-16/h8H,3-6H2,1-2H3.
What are the key properties of 5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile?
5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile has a molecular weight of 261.28 g/mol, XLogP of 0.21, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-formyl-1,4-dimethyl-6-morpholin-4-yl-2-oxopyridine-3-carbonitrile is sourced from PubChem (CID 2772193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).