ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane

C20H33N5O4 — CID 142262584

IUPACethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane
SMILESCC.CCC.CCNc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)[nH][nH]c1=O
InChIInChI=1S/C15H19N5O4.C3H8.C2H6/c1-4-16-10-11(14(23)19-18-13(10)22)17-9-7-5-6-8(12(9)21)15(24)20(2)3;1-3-2;1-2/h5-7,21H,4H2,1-3H3,(H2,16,19,23)(H2,17,18,22);3H2,1-2H3;1-2H3
InChIKeySBHODJHRKIOBAV-UHFFFAOYSA-N
MW407.52 g/mol
LogP3.09
Rot. Bonds5

About ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane

ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane (PubChem CID 142262584) has the molecular formula C20H33N5O4 and a molecular weight of 407.52 g/mol. Its IUPAC name is ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane.

Molecular Properties

Compound Nameethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane
PubChem CID142262584
Molecular FormulaC20H33N5O4
Molecular Weight407.52 g/mol
Exact Mass407.25
IUPAC Nameethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane
SMILESCC.CCC.CCNc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)[nH][nH]c1=O
InChIInChI=1S/C15H19N5O4.C3H8.C2H6/c1-4-16-10-11(14(23)19-18-13(10)22)17-9-7-5-6-8(12(9)21)15(24)20(2)3;1-3-2;1-2/h5-7,21H,4H2,1-3H3,(H2,16,19,23)(H2,17,18,22);3H2,1-2H3;1-2H3
InChIKeySBHODJHRKIOBAV-UHFFFAOYSA-N
XLogP3.09
TPSA130.32 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 53.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane?
The IUPAC name of ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane (CID 142262584) is ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane.
What is the SMILES notation for ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane?
The canonical SMILES for ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane is CC.CCC.CCNc1c(Nc2cccc(C(=O)N(C)C)c2O)c(=O)[nH][nH]c1=O.
What is the InChIKey of ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane?
The InChIKey is SBHODJHRKIOBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O4.C3H8.C2H6/c1-4-16-10-11(14(23)19-18-13(10)22)17-9-7-5-6-8(12(9)21)15(24)20(2)3;1-3-2;1-2/h5-7,21H,4H2,1-3H3,(H2,16,19,23)(H2,17,18,22);3H2,1-2H3;1-2H3.
What are the key properties of ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane?
ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane has a molecular weight of 407.52 g/mol, XLogP of 3.09, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane is sourced from PubChem (CID 142262584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).