(6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+)

C14H24N4OW — CID 171527015

IUPAC(6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+)
SMILESCC.CN1CCN(C(=O)c2c[c-]cnc2N)CC1.[CH3-].[W+2]
InChIInChI=1S/C11H15N4O.C2H6.CH3.W/c1-14-5-7-15(8-6-14)11(16)9-3-2-4-13-10(9)12;1-2;;/h3-4H,5-8H2,1H3,(H2,12,13);1-2H3;1H3;/q-1;;-1;+2
InChIKeyZCEMAQFDQLKFFJ-UHFFFAOYSA-N
MW448.21 g/mol
LogP1.33
Rot. Bonds1

About (6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+)

(6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+) (PubChem CID 171527015) has the molecular formula C14H24N4OW and a molecular weight of 448.21 g/mol. Its IUPAC name is (6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+).

Molecular Properties

Compound Name(6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+)
PubChem CID171527015
Molecular FormulaC14H24N4OW
Molecular Weight448.21 g/mol
Exact Mass448.15
IUPAC Name(6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+)
SMILESCC.CN1CCN(C(=O)c2c[c-]cnc2N)CC1.[CH3-].[W+2]
InChIInChI=1S/C11H15N4O.C2H6.CH3.W/c1-14-5-7-15(8-6-14)11(16)9-3-2-4-13-10(9)12;1-2;;/h3-4H,5-8H2,1H3,(H2,12,13);1-2H3;1H3;/q-1;;-1;+2
InChIKeyZCEMAQFDQLKFFJ-UHFFFAOYSA-N
XLogP1.33
TPSA62.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
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 (6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+)?
The IUPAC name of (6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+) (CID 171527015) is (6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+).
What is the SMILES notation for (6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+)?
The canonical SMILES for (6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+) is CC.CN1CCN(C(=O)c2c[c-]cnc2N)CC1.[CH3-].[W+2].
What is the InChIKey of (6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+)?
The InChIKey is ZCEMAQFDQLKFFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N4O.C2H6.CH3.W/c1-14-5-7-15(8-6-14)11(16)9-3-2-4-13-10(9)12;1-2;;/h3-4H,5-8H2,1H3,(H2,12,13);1-2H3;1H3;/q-1;;-1;+2.
What are the key properties of (6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+)?
(6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+) has a molecular weight of 448.21 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-3H-pyridin-3-id-5-yl)-(4-methylpiperazin-1-yl)methanone;carbanide;ethane;tungsten(2+) is sourced from PubChem (CID 171527015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).