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

C17H29N3O3 — CID 167626515

IUPACethane;1-[(2-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
SMILESCC.CC.CC(C)n1cccc(CN2CCC(=O)NC2=O)c1=O
InChIInChI=1S/C13H17N3O3.2C2H6/c1-9(2)16-6-3-4-10(12(16)18)8-15-7-5-11(17)14-13(15)19;2*1-2/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,17,19);2*1-2H3
InChIKeyNEGHVLPOSVYQBP-UHFFFAOYSA-N
MW323.44 g/mol
LogP2.92
Rot. Bonds3

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

ethane;1-[(2-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione (PubChem CID 167626515) has the molecular formula C17H29N3O3 and a molecular weight of 323.44 g/mol. Its IUPAC name is ethane;1-[(2-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Nameethane;1-[(2-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
PubChem CID167626515
Molecular FormulaC17H29N3O3
Molecular Weight323.44 g/mol
Exact Mass323.22
IUPAC Nameethane;1-[(2-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione
SMILESCC.CC.CC(C)n1cccc(CN2CCC(=O)NC2=O)c1=O
InChIInChI=1S/C13H17N3O3.2C2H6/c1-9(2)16-6-3-4-10(12(16)18)8-15-7-5-11(17)14-13(15)19;2*1-2/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,17,19);2*1-2H3
InChIKeyNEGHVLPOSVYQBP-UHFFFAOYSA-N
XLogP2.92
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[(2-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of ethane;1-[(2-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione (CID 167626515) is ethane;1-[(2-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for ethane;1-[(2-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for ethane;1-[(2-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione is CC.CC.CC(C)n1cccc(CN2CCC(=O)NC2=O)c1=O.
What is the InChIKey of ethane;1-[(2-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
The InChIKey is NEGHVLPOSVYQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3.2C2H6/c1-9(2)16-6-3-4-10(12(16)18)8-15-7-5-11(17)14-13(15)19;2*1-2/h3-4,6,9H,5,7-8H2,1-2H3,(H,14,17,19);2*1-2H3.
What are the key properties of ethane;1-[(2-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione?
ethane;1-[(2-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione has a molecular weight of 323.44 g/mol, XLogP of 2.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[(2-oxo-1-propan-2-yl-3-pyridinyl)methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 167626515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).