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

C26H26N4O4 — CID 2983720

IUPAC1-[(4-methoxyphenyl)methyl]-5,5-bis(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(CN2C(=O)NC(=O)C(CCc3ccccn3)(CCc3ccccn3)C2=O)cc1
InChIInChI=1S/C26H26N4O4/c1-34-22-10-8-19(9-11-22)18-30-24(32)26(23(31)29-25(30)33,14-12-20-6-2-4-16-27-20)15-13-21-7-3-5-17-28-21/h2-11,16-17H,12-15,18H2,1H3,(H,29,31,33)
InChIKeyFDPUZCYPKKZZFR-UHFFFAOYSA-N
MW458.52 g/mol
LogP3.32
Rot. Bonds9

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

1-[(4-methoxyphenyl)methyl]-5,5-bis(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione (PubChem CID 2983720) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)methyl]-5,5-bis(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)methyl]-5,5-bis(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione
PubChem CID2983720
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name1-[(4-methoxyphenyl)methyl]-5,5-bis(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione
SMILESCOc1ccc(CN2C(=O)NC(=O)C(CCc3ccccn3)(CCc3ccccn3)C2=O)cc1
InChIInChI=1S/C26H26N4O4/c1-34-22-10-8-19(9-11-22)18-30-24(32)26(23(31)29-25(30)33,14-12-20-6-2-4-16-27-20)15-13-21-7-3-5-17-28-21/h2-11,16-17H,12-15,18H2,1H3,(H,29,31,33)
InChIKeyFDPUZCYPKKZZFR-UHFFFAOYSA-N
XLogP3.32
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-(2-fluorophenyl)-5-(2-pyridin-2-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
CID 2947373
1-[3-(4-methoxyphenyl)propyl]-3-(2-pyridin-2-ylethyl)urea
CID 60547411
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 8507004
3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 17392520
1-(4-bromophenyl)-5-(2-pyridin-2-ylethyl)-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
CID 2947242
3-(4-methoxyphenyl)-N-(pyridin-2-ylmethyl)propanamide
CID 898315
(5R)-3-[(4-methoxyphenyl)methyl]-5-[2-oxo-2-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 124860685
3-[3-[(4-methoxyphenyl)methyl]-4-oxopyrido[2,3-d]pyrimidin-2-yl]-N-(pyridin-2-ylmethyl)propanamide
CID 23602540
(3R,6S)-3-[(4-methoxyphenyl)methyl]-3-methyl-1-[(4-phenoxyphenyl)methyl]-6-[5-(pyridin-2-ylmethylamino)pentyl]piperazine-2,5-dione
CID 163927833
1-[(2R)-4-(4-methoxyphenyl)butan-2-yl]-3-(2-pyridin-2-ylethyl)urea
CID 95178027
N-[(4-methoxyphenyl)methyl]-4-(pyridin-2-ylmethyl)piperazine-1-carboxamide
CID 113108170
N-[(4-methoxyphenyl)methyl]-2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetamide
CID 34727834

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)methyl]-5,5-bis(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1-[(4-methoxyphenyl)methyl]-5,5-bis(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione (CID 2983720) is 1-[(4-methoxyphenyl)methyl]-5,5-bis(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1-[(4-methoxyphenyl)methyl]-5,5-bis(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1-[(4-methoxyphenyl)methyl]-5,5-bis(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione is COc1ccc(CN2C(=O)NC(=O)C(CCc3ccccn3)(CCc3ccccn3)C2=O)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)methyl]-5,5-bis(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione?
The InChIKey is FDPUZCYPKKZZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c1-34-22-10-8-19(9-11-22)18-30-24(32)26(23(31)29-25(30)33,14-12-20-6-2-4-16-27-20)15-13-21-7-3-5-17-28-21/h2-11,16-17H,12-15,18H2,1H3,(H,29,31,33).
What are the key properties of 1-[(4-methoxyphenyl)methyl]-5,5-bis(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione?
1-[(4-methoxyphenyl)methyl]-5,5-bis(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione has a molecular weight of 458.52 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)methyl]-5,5-bis(2-pyridin-2-ylethyl)-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 2983720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).