1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen

C14H21N3O3 — CID 156706992

IUPAC1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen
SMILESCCC(C)n1cccc(CN2CCC(=O)NC2=O)c1=O.[H][H]
InChIInChI=1S/C14H19N3O3.H2/c1-3-10(2)17-7-4-5-11(13(17)19)9-16-8-6-12(18)15-14(16)20;/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,15,18,20);1H
InChIKeyZTBZZSRQJBXHLU-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.51
Rot. Bonds4

About 1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen

1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen (PubChem CID 156706992) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen.

Molecular Properties

Compound Name1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen
PubChem CID156706992
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen
SMILESCCC(C)n1cccc(CN2CCC(=O)NC2=O)c1=O.[H][H]
InChIInChI=1S/C14H19N3O3.H2/c1-3-10(2)17-7-4-5-11(13(17)19)9-16-8-6-12(18)15-14(16)20;/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,15,18,20);1H
InChIKeyZTBZZSRQJBXHLU-UHFFFAOYSA-N
XLogP1.51
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen with MolForge

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Related Compounds

3-(3,5-Dimethylpiperazine-1-carbonyl)-1-methylpyridin-2-one
CID 121575874
5-[(E)-3-(dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6282221
5-[(E)-3-(diethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 6392556
1-(1,2-Dihydro-1-methyl-2-oxo-3-pyridinyl)dihydro-2,4(1H,3H)-pyrimidinedione
CID 155261434
5-[3-(Dimethylamino)prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 319881
3-Methylidene-1,9a-dihydropyrido[1,2-a]pyrimidine-2,4-dione
CID 23558224
5-[(2E,4E)-5-piperidin-1-ylpenta-2,4-dienylidene]-1,3-diazinane-2,4,6-trione
CID 59340510
1-methyl-2-oxo-N-piperidin-4-ylpyridine-3-carboxamide
CID 71101193
5-But-2-enylidene-1-ethyl-1,3-diazinane-2,4,6-trione
CID 123410516
2,4,6-trioxo-N-(6-oxo-1H-pyridin-3-yl)-1,3-diazinane-5-carboxamide
CID 130200223
5-[(E)-3-[bis(2-methylpropyl)amino]prop-2-enylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 130328008
1,3-Diazabicyclo[3.3.1]nona-5,7-diene-2,4-dione
CID 140399143

Frequently Asked Questions

What is the IUPAC name of 1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen?
The IUPAC name of 1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen (CID 156706992) is 1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen.
What is the SMILES notation for 1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen?
The canonical SMILES for 1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen is CCC(C)n1cccc(CN2CCC(=O)NC2=O)c1=O.[H][H].
What is the InChIKey of 1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen?
The InChIKey is ZTBZZSRQJBXHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3.H2/c1-3-10(2)17-7-4-5-11(13(17)19)9-16-8-6-12(18)15-14(16)20;/h4-5,7,10H,3,6,8-9H2,1-2H3,(H,15,18,20);1H.
What are the key properties of 1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen?
1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen has a molecular weight of 279.34 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-butan-2-yl-2-oxo-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione;molecular hydrogen is sourced from PubChem (CID 156706992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).