4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine

C15H18N3O2+ — CID 6332538

IUPAC4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine
SMILESO=[N+]1C=CC(N2CCOCC2)=CC1Nc1ccccc1
InChIInChI=1S/C15H18N3O2/c19-18-7-6-14(17-8-10-20-11-9-17)12-15(18)16-13-4-2-1-3-5-13/h1-7,12,15-16H,8-11H2/q+1
InChIKeyDGTGIJXWANYCIG-UHFFFAOYSA-N
MW272.33 g/mol
LogP1.95
Rot. Bonds3

About 4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine

4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine (PubChem CID 6332538) has the molecular formula C15H18N3O2+ and a molecular weight of 272.33 g/mol. Its IUPAC name is 4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine.

Molecular Properties

Compound Name4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine
PubChem CID6332538
Molecular FormulaC15H18N3O2+
Molecular Weight272.33 g/mol
Exact Mass272.14
IUPAC Name4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine
SMILESO=[N+]1C=CC(N2CCOCC2)=CC1Nc1ccccc1
InChIInChI=1S/C15H18N3O2/c19-18-7-6-14(17-8-10-20-11-9-17)12-15(18)16-13-4-2-1-3-5-13/h1-7,12,15-16H,8-11H2/q+1
InChIKeyDGTGIJXWANYCIG-UHFFFAOYSA-N
XLogP1.95
TPSA44.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine?
The IUPAC name of 4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine (CID 6332538) is 4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine.
What is the SMILES notation for 4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine?
The canonical SMILES for 4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine is O=[N+]1C=CC(N2CCOCC2)=CC1Nc1ccccc1.
What is the InChIKey of 4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine?
The InChIKey is DGTGIJXWANYCIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N3O2/c19-18-7-6-14(17-8-10-20-11-9-17)12-15(18)16-13-4-2-1-3-5-13/h1-7,12,15-16H,8-11H2/q+1.
What are the key properties of 4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine?
4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine has a molecular weight of 272.33 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-morpholin-4-yl-1-oxo-N-phenyl-2H-pyridin-1-ium-2-amine is sourced from PubChem (CID 6332538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).