3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione

C15H21N3O3 — CID 82899910

IUPAC3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CC(C)N(CCn2ccccc2=O)C1=O
InChIInChI=1S/C15H21N3O3/c1-3-12-15(21)18(11(2)10-13(19)16-12)9-8-17-7-5-4-6-14(17)20/h4-7,11-12H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyDYQMXYZGTDJDGF-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.36
Rot. Bonds4

About 3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione

3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione (PubChem CID 82899910) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione.

Molecular Properties

Compound Name3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione
PubChem CID82899910
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione
SMILESCCC1NC(=O)CC(C)N(CCn2ccccc2=O)C1=O
InChIInChI=1S/C15H21N3O3/c1-3-12-15(21)18(11(2)10-13(19)16-12)9-8-17-7-5-4-6-14(17)20/h4-7,11-12H,3,8-10H2,1-2H3,(H,16,19)
InChIKeyDYQMXYZGTDJDGF-UHFFFAOYSA-N
XLogP0.36
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione?
The IUPAC name of 3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione (CID 82899910) is 3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione.
What is the SMILES notation for 3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione?
The canonical SMILES for 3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione is CCC1NC(=O)CC(C)N(CCn2ccccc2=O)C1=O.
What is the InChIKey of 3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione?
The InChIKey is DYQMXYZGTDJDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-3-12-15(21)18(11(2)10-13(19)16-12)9-8-17-7-5-4-6-14(17)20/h4-7,11-12H,3,8-10H2,1-2H3,(H,16,19).
What are the key properties of 3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione?
3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione has a molecular weight of 291.35 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-7-methyl-1-[2-(2-oxo-1-pyridinyl)ethyl]-1,4-diazepane-2,5-dione is sourced from PubChem (CID 82899910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).