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

C23H27N3O6 — CID 3148847

IUPAC1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCOc1cc(CC2(CCc3ccncc3)C(=O)N(C)C(=O)N(C)C2=O)cc(OC)c1OC
InChIInChI=1S/C23H27N3O6/c1-25-20(27)23(21(28)26(2)22(25)29,9-6-15-7-10-24-11-8-15)14-16-12-17(30-3)19(32-5)18(13-16)31-4/h7-8,10-13H,6,9,14H2,1-5H3
InChIKeyRLENTPHFSHSNNR-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.32
Rot. Bonds8

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

1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione (PubChem CID 3148847) has the molecular formula C23H27N3O6 and a molecular weight of 441.48 g/mol. Its IUPAC name is 1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione.

Molecular Properties

Compound Name1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
PubChem CID3148847
Molecular FormulaC23H27N3O6
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione
SMILESCOc1cc(CC2(CCc3ccncc3)C(=O)N(C)C(=O)N(C)C2=O)cc(OC)c1OC
InChIInChI=1S/C23H27N3O6/c1-25-20(27)23(21(28)26(2)22(25)29,9-6-15-7-10-24-11-8-15)14-16-12-17(30-3)19(32-5)18(13-16)31-4/h7-8,10-13H,6,9,14H2,1-5H3
InChIKeyRLENTPHFSHSNNR-UHFFFAOYSA-N
XLogP2.32
TPSA98.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Piperazine, 1-(2-pyridyl)-4-(3,4,5-trimethoxycinnamoyl)-
CID 6445118
Pyridin-3-yl-{4-[2-(3,4,5-trimethoxy-phenyl)-acetyl]-piperazin-1-yl}-acetonitrile; hydrate
CID 10431694
5-[(4-Propan-2-yloxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
CID 1396628
5-(2,4-dimethoxybenzyl)-5-[2-(4-pyridinyl)ethyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 2292557
1-(4-Pyrimidin-2-ylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)propan-1-one
CID 2707495
2-Pyridin-3-yl-2-[4-[3-(3,4,5-trimethoxyphenyl)propanoyl]piperazin-1-yl]acetonitrile;dihydrochloride
CID 90664390
N,N-dimethyl-4-[4-[4-methyl-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazine-1-carboxamide
CID 156016832
1-[4-[4-[4-Methyl-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]piperazin-1-yl]ethanone
CID 156020759
5-(1,3-Benzodioxol-5-ylmethyl)-1,3-dimethyl-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
CID 2292764
3-(3,4,5-Trimethoxyphenyl)Propanoylpyrrole
CID 50994067
5-(4-ethoxybenzyl)-5-[2-(4-pyridinyl)ethyl]-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 3148850
4-[1-(3,4,5-Trimethoxybenzoyl)piperidin-4-yl]pyridine
CID 16033078

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The IUPAC name of 1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione (CID 3148847) is 1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione.
What is the SMILES notation for 1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The canonical SMILES for 1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione is COc1cc(CC2(CCc3ccncc3)C(=O)N(C)C(=O)N(C)C2=O)cc(OC)c1OC.
What is the InChIKey of 1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
The InChIKey is RLENTPHFSHSNNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O6/c1-25-20(27)23(21(28)26(2)22(25)29,9-6-15-7-10-24-11-8-15)14-16-12-17(30-3)19(32-5)18(13-16)31-4/h7-8,10-13H,6,9,14H2,1-5H3.
What are the key properties of 1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione?
1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione has a molecular weight of 441.48 g/mol, XLogP of 2.32, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-5-(2-pyridin-4-ylethyl)-5-[(3,4,5-trimethoxyphenyl)methyl]-1,3-diazinane-2,4,6-trione is sourced from PubChem (CID 3148847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).