5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione

C19H19N3O4 — CID 2917873

IUPAC5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-26-15-4-2-14(3-5-15)12-19(9-6-13-7-10-20-11-8-13)16(23)21-18(25)22-17(19)24/h2-5,7-8,10-11H,6,9,12H2,1H3,(H2,21,22,23,24,25)
InChIKeyUEQMBYUAPDZHPQ-UHFFFAOYSA-N
MW353.38 g/mol
LogP1.62
Rot. Bonds6

About 5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione

5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 2917873) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
PubChem CID2917873
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC Name5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)cc1
InChIInChI=1S/C19H19N3O4/c1-26-15-4-2-14(3-5-15)12-19(9-6-13-7-10-20-11-8-13)16(23)21-18(25)22-17(19)24/h2-5,7-8,10-11H,6,9,12H2,1H3,(H2,21,22,23,24,25)
InChIKeyUEQMBYUAPDZHPQ-UHFFFAOYSA-N
XLogP1.62
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione (CID 2917873) is 5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione is COc1ccc(CC2(CCc3ccncc3)C(=O)NC(=O)NC2=O)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is UEQMBYUAPDZHPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-26-15-4-2-14(3-5-15)12-19(9-6-13-7-10-20-11-8-13)16(23)21-18(25)22-17(19)24/h2-5,7-8,10-11H,6,9,12H2,1H3,(H2,21,22,23,24,25).
What are the key properties of 5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione?
5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 353.38 g/mol, XLogP of 1.62, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2917873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).