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

C15H23N3O3 — CID 167497188

IUPACbutane;1-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
SMILESCCCC.Cn1cccc(CN2CCC(=O)NC2=O)c1=O
InChIInChI=1S/C11H13N3O3.C4H10/c1-13-5-2-3-8(10(13)16)7-14-6-4-9(15)12-11(14)17;1-3-4-2/h2-3,5H,4,6-7H2,1H3,(H,12,15,17);3-4H2,1-2H3
InChIKeyPEHHPLODHLQHSR-UHFFFAOYSA-N
MW293.37 g/mol
LogP1.63
Rot. Bonds3

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

butane;1-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 167497188) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is butane;1-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Namebutane;1-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID167497188
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Namebutane;1-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
SMILESCCCC.Cn1cccc(CN2CCC(=O)NC2=O)c1=O
InChIInChI=1S/C11H13N3O3.C4H10/c1-13-5-2-3-8(10(13)16)7-14-6-4-9(15)12-11(14)17;1-3-4-2/h2-3,5H,4,6-7H2,1H3,(H,12,15,17);3-4H2,1-2H3
InChIKeyPEHHPLODHLQHSR-UHFFFAOYSA-N
XLogP1.63
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of butane;1-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of butane;1-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione (CID 167497188) is butane;1-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for butane;1-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for butane;1-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione is CCCC.Cn1cccc(CN2CCC(=O)NC2=O)c1=O.
What is the InChIKey of butane;1-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is PEHHPLODHLQHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3.C4H10/c1-13-5-2-3-8(10(13)16)7-14-6-4-9(15)12-11(14)17;1-3-4-2/h2-3,5H,4,6-7H2,1H3,(H,12,15,17);3-4H2,1-2H3.
What are the key properties of butane;1-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
butane;1-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 293.37 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butane;1-[(1-methyl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167497188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).