1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione

C12H15N3O3 — CID 174356600

IUPAC1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
SMILESCCn1cccc(CN2CCC(=O)NC2=O)c1=O
InChIInChI=1S/C12H15N3O3/c1-2-14-6-3-4-9(11(14)17)8-15-7-5-10(16)13-12(15)18/h3-4,6H,2,5,7-8H2,1H3,(H,13,16,18)
InChIKeyLRWFBGBCCKIUAP-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.31
Rot. Bonds3

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

1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 174356600) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID174356600
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
SMILESCCn1cccc(CN2CCC(=O)NC2=O)c1=O
InChIInChI=1S/C12H15N3O3/c1-2-14-6-3-4-9(11(14)17)8-15-7-5-10(16)13-12(15)18/h3-4,6H,2,5,7-8H2,1H3,(H,13,16,18)
InChIKeyLRWFBGBCCKIUAP-UHFFFAOYSA-N
XLogP0.31
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione (CID 174356600) is 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione is CCn1cccc(CN2CCC(=O)NC2=O)c1=O.
What is the InChIKey of 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is LRWFBGBCCKIUAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O3/c1-2-14-6-3-4-9(11(14)17)8-15-7-5-10(16)13-12(15)18/h3-4,6H,2,5,7-8H2,1H3,(H,13,16,18).
What are the key properties of 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 249.27 g/mol, XLogP of 0.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 174356600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).