3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione

C12H15N3O2 — CID 64881794

IUPAC3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CCN(Cc2cccnc2)C1=O
InChIInChI=1S/C12H15N3O2/c1-9-12(17)15(6-4-11(16)14-9)8-10-3-2-5-13-7-10/h2-3,5,7,9H,4,6,8H2,1H3,(H,14,16)
InChIKeyVEQIXXZCFIBCNO-UHFFFAOYSA-N
MW233.27 g/mol
LogP0.32
Rot. Bonds2

About 3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione

3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione (PubChem CID 64881794) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione
PubChem CID64881794
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione
SMILESCC1NC(=O)CCN(Cc2cccnc2)C1=O
InChIInChI=1S/C12H15N3O2/c1-9-12(17)15(6-4-11(16)14-9)8-10-3-2-5-13-7-10/h2-3,5,7,9H,4,6,8H2,1H3,(H,14,16)
InChIKeyVEQIXXZCFIBCNO-UHFFFAOYSA-N
XLogP0.32
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-methyl-1-(pyridin-3-ylmethyl)-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-methyl-1-(quinolin-6-ylmethyl)-1,4-diazepane-2,5-dione
CID 64881992
3-methyl-1-[(1-methylpyrazol-4-yl)methyl]-1,4-diazepane-2,5-dione
CID 64884532
4-methyl-3-(methylamino)-1-(pyridin-3-ylmethyl)azepan-2-one
CID 20589951
5-methyl-1-(pyridin-3-ylmethyl)pyrrolidin-2-one
CID 132597790
(3S,6S)-3,6-dimethyl-1,4-bis(pyridin-3-ylmethyl)piperazine-2,5-dione
CID 155810252
1-[(3-bromo-4-fluorophenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64882185
3,6-dimethyl-1-(2-pyridin-3-ylethyl)piperazine-2,5-dione
CID 64963601
4-hydroxy-1-(pyridin-3-ylmethyl)piperidin-2-one
CID 117013986
3-butan-2-yl-1-pyridin-3-yl-1,4-diazepane-2,5-dione
CID 64956259
1-[(2,5-dimethylphenyl)methyl]-3-methyl-1,4-diazepane-2,5-dione
CID 64884536
methyl (3R)-5-oxo-1-(pyridin-3-ylmethyl)pyrrolidine-3-carboxylate
CID 42579837
1-[(5-bromo-3-pyridinyl)methyl]-3-methylpiperazine-2,5-dione
CID 113456029

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione?
The IUPAC name of 3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione (CID 64881794) is 3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione is CC1NC(=O)CCN(Cc2cccnc2)C1=O.
What is the InChIKey of 3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione?
The InChIKey is VEQIXXZCFIBCNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9-12(17)15(6-4-11(16)14-9)8-10-3-2-5-13-7-10/h2-3,5,7,9H,4,6,8H2,1H3,(H,14,16).
What are the key properties of 3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione?
3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione has a molecular weight of 233.27 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(pyridin-3-ylmethyl)-1,4-diazepane-2,5-dione is sourced from PubChem (CID 64881794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).