N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide

C20H26N4O5 — CID 2469905

IUPACN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C20H26N4O5/c1-4-28-17-13-16(24-8-10-27-11-9-24)18(29-5-2)12-15(17)21-20(26)14-6-7-19(25)23(3)22-14/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,21,26)
InChIKeyQBFMVTAXKJDZOT-UHFFFAOYSA-N
MW402.45 g/mol
LogP1.67
Rot. Bonds7

About N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide

N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide (PubChem CID 2469905) has the molecular formula C20H26N4O5 and a molecular weight of 402.45 g/mol. Its IUPAC name is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide
PubChem CID2469905
Molecular FormulaC20H26N4O5
Molecular Weight402.45 g/mol
Exact Mass402.19
IUPAC NameN-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide
SMILESCCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(=O)n(C)n1
InChIInChI=1S/C20H26N4O5/c1-4-28-17-13-16(24-8-10-27-11-9-24)18(29-5-2)12-15(17)21-20(26)14-6-7-19(25)23(3)22-14/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,21,26)
InChIKeyQBFMVTAXKJDZOT-UHFFFAOYSA-N
XLogP1.67
TPSA94.92 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide (CID 2469905) is N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide is CCOc1cc(N2CCOCC2)c(OCC)cc1NC(=O)c1ccc(=O)n(C)n1.
What is the InChIKey of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
The InChIKey is QBFMVTAXKJDZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O5/c1-4-28-17-13-16(24-8-10-27-11-9-24)18(29-5-2)12-15(17)21-20(26)14-6-7-19(25)23(3)22-14/h6-7,12-13H,4-5,8-11H2,1-3H3,(H,21,26).
What are the key properties of N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide?
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 2469905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).