cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one

C16H23CsN4O — CID 177022352

IUPACcesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCNCC3)cc2[nH]c1=O.[CH3-].[Cs+]
InChIInChI=1S/C15H20N4O.CH3.Cs/c1-2-12-8-13-14(18-15(12)20)7-11(9-17-13)10-19-5-3-16-4-6-19;;/h7-9,16H,2-6,10H2,1H3,(H,18,20);1H3;/q;-1;+1
InChIKeyBITSZVBRWGIRHZ-UHFFFAOYSA-N
MW420.29 g/mol
LogP-1.66
Rot. Bonds3

About cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one

cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one (PubChem CID 177022352) has the molecular formula C16H23CsN4O and a molecular weight of 420.29 g/mol. Its IUPAC name is cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one.

Molecular Properties

Compound Namecesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
PubChem CID177022352
Molecular FormulaC16H23CsN4O
Molecular Weight420.29 g/mol
Exact Mass420.09
IUPAC Namecesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one
SMILESCCc1cc2ncc(CN3CCNCC3)cc2[nH]c1=O.[CH3-].[Cs+]
InChIInChI=1S/C15H20N4O.CH3.Cs/c1-2-12-8-13-14(18-15(12)20)7-11(9-17-13)10-19-5-3-16-4-6-19;;/h7-9,16H,2-6,10H2,1H3,(H,18,20);1H3;/q;-1;+1
InChIKeyBITSZVBRWGIRHZ-UHFFFAOYSA-N
XLogP-1.66
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.29
LogP ≤ 5-1.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one?
The IUPAC name of cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one (CID 177022352) is cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one.
What is the SMILES notation for cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one?
The canonical SMILES for cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one is CCc1cc2ncc(CN3CCNCC3)cc2[nH]c1=O.[CH3-].[Cs+].
What is the InChIKey of cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one?
The InChIKey is BITSZVBRWGIRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.CH3.Cs/c1-2-12-8-13-14(18-15(12)20)7-11(9-17-13)10-19-5-3-16-4-6-19;;/h7-9,16H,2-6,10H2,1H3,(H,18,20);1H3;/q;-1;+1.
What are the key properties of cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one?
cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one has a molecular weight of 420.29 g/mol, XLogP of -1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cesium;carbanide;3-ethyl-7-(piperazin-1-ylmethyl)-1H-1,5-naphthyridin-2-one is sourced from PubChem (CID 177022352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).