3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione

C15H21N3O2 — CID 64970779

IUPAC3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione
SMILESCCC1(CC)NC(=O)CCN(c2cnccc2C)C1=O
InChIInChI=1S/C15H21N3O2/c1-4-15(5-2)14(20)18(9-7-13(19)17-15)12-10-16-8-6-11(12)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,17,19)
InChIKeyOMTXTXMVAXZFAK-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.80
Rot. Bonds3

About 3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione

3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione (PubChem CID 64970779) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione
PubChem CID64970779
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione
SMILESCCC1(CC)NC(=O)CCN(c2cnccc2C)C1=O
InChIInChI=1S/C15H21N3O2/c1-4-15(5-2)14(20)18(9-7-13(19)17-15)12-10-16-8-6-11(12)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,17,19)
InChIKeyOMTXTXMVAXZFAK-UHFFFAOYSA-N
XLogP1.80
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione 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

3,3-diethyl-1-(2-pyridin-4-ylethyl)-1,4-diazepane-2,5-dione
CID 64964114
1-(4-methylazecin-3-yl)-1,3-diazinane-2,4-dione;propane
CID 156858667
1-(4-methyl-3-pyridinyl)-3-propyl-1,4-diazepane-2,5-dione
CID 64970685
1-(3-bromo-4-methylphenyl)-3,3-diethyl-1,4-diazepane-2,5-dione
CID 64970666
1-(4-methyl-3-pyridinyl)-3-propan-2-yl-1,4-diazepane-2,5-dione
CID 64970731
1-(2-bromo-4-chlorophenyl)-3,3-diethyl-1,4-diazepane-2,5-dione
CID 81256348
3,3-diethyl-1-(3-ethylphenyl)-1,4-diazepane-2,5-dione
CID 64959142
1-(4-methyl-3-pyridinyl)pyrrolidine-2,4-dione
CID 79515403
3-butan-2-yl-1-(4-methyl-3-pyridinyl)piperazine-2,5-dione
CID 64970698
3,3-dimethyl-1-(2-methylphenyl)-1,4-diazepane-2,5-dione
CID 64959301
1-(4-methyl-3-pyridinyl)piperidin-4-one
CID 63327430
1-cyclopentyl-3,3-diethyl-1,4-diazepane-2,5-dione
CID 64958518

Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione (CID 64970779) is 3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione is CCC1(CC)NC(=O)CCN(c2cnccc2C)C1=O.
What is the InChIKey of 3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione?
The InChIKey is OMTXTXMVAXZFAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-4-15(5-2)14(20)18(9-7-13(19)17-15)12-10-16-8-6-11(12)3/h6,8,10H,4-5,7,9H2,1-3H3,(H,17,19).
What are the key properties of 3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione?
3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione has a molecular weight of 275.35 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-1-(4-methyl-3-pyridinyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64970779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).