5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

C19H18N4O4 — CID 3719725

IUPAC5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCN(CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)c1ccccn1
InChIInChI=1S/C19H18N4O4/c1-23(16-4-2-3-9-20-16)10-11-27-14-7-5-13(6-8-14)12-15-17(24)21-19(26)22-18(15)25/h2-9,12H,10-11H2,1H3,(H2,21,22,24,25,26)
InChIKeyBMJGZYVMFUVWKE-UHFFFAOYSA-N
MW366.38 g/mol
LogP1.35
Rot. Bonds6

About 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione

5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione (PubChem CID 3719725) has the molecular formula C19H18N4O4 and a molecular weight of 366.38 g/mol. Its IUPAC name is 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
PubChem CID3719725
Molecular FormulaC19H18N4O4
Molecular Weight366.38 g/mol
Exact Mass366.13
IUPAC Name5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione
SMILESCN(CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)c1ccccn1
InChIInChI=1S/C19H18N4O4/c1-23(16-4-2-3-9-20-16)10-11-27-14-7-5-13(6-8-14)12-15-17(24)21-19(26)22-18(15)25/h2-9,12H,10-11H2,1H3,(H2,21,22,24,25,26)
InChIKeyBMJGZYVMFUVWKE-UHFFFAOYSA-N
XLogP1.35
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.38
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_six_het_A(483)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione (CID 3719725) is 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is CN(CCOc1ccc(C=C2C(=O)NC(=O)NC2=O)cc1)c1ccccn1.
What is the InChIKey of 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
The InChIKey is BMJGZYVMFUVWKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O4/c1-23(16-4-2-3-9-20-16)10-11-27-14-7-5-13(6-8-14)12-15-17(24)21-19(26)22-18(15)25/h2-9,12H,10-11H2,1H3,(H2,21,22,24,25,26).
What are the key properties of 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione?
5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione has a molecular weight of 366.38 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[2-[methyl(pyridin-2-yl)amino]ethoxy]phenyl]methylidene]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3719725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).