N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide

C17H26N4O3 — CID 53200841

IUPACN-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide
SMILESCCn1ncc(NC(=O)C2CCCCC2)c(N2CCOCC2)c1=O
InChIInChI=1S/C17H26N4O3/c1-2-21-17(23)15(20-8-10-24-11-9-20)14(12-18-21)19-16(22)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,19,22)
InChIKeyBRGAYHKWXLYYDL-UHFFFAOYSA-N
MW334.42 g/mol
LogP1.62
Rot. Bonds4

About N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide

N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide (PubChem CID 53200841) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide.

Molecular Properties

Compound NameN-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide
PubChem CID53200841
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide
SMILESCCn1ncc(NC(=O)C2CCCCC2)c(N2CCOCC2)c1=O
InChIInChI=1S/C17H26N4O3/c1-2-21-17(23)15(20-8-10-24-11-9-20)14(12-18-21)19-16(22)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,19,22)
InChIKeyBRGAYHKWXLYYDL-UHFFFAOYSA-N
XLogP1.62
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide?
The IUPAC name of N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide (CID 53200841) is N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide.
What is the SMILES notation for N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide?
The canonical SMILES for N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide is CCn1ncc(NC(=O)C2CCCCC2)c(N2CCOCC2)c1=O.
What is the InChIKey of N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide?
The InChIKey is BRGAYHKWXLYYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-2-21-17(23)15(20-8-10-24-11-9-20)14(12-18-21)19-16(22)13-6-4-3-5-7-13/h12-13H,2-11H2,1H3,(H,19,22).
What are the key properties of N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide?
N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide has a molecular weight of 334.42 g/mol, XLogP of 1.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethyl-5-morpholin-4-yl-6-oxopyridazin-4-yl)cyclohexanecarboxamide is sourced from PubChem (CID 53200841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).