methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate

C14H19N3O4 — CID 108745197

IUPACmethyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H19N3O4/c1-21-14(20)10-5-3-2-4-9(10)8-15-13(19)11-6-7-12(18)17-16-11/h6-7,9-10H,2-5,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyAUEMLTCBMYJJEI-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.48
Rot. Bonds4

About methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate

methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate (PubChem CID 108745197) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate
PubChem CID108745197
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Namemethyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCCCC1CNC(=O)c1ccc(=O)[nH]n1
InChIInChI=1S/C14H19N3O4/c1-21-14(20)10-5-3-2-4-9(10)8-15-13(19)11-6-7-12(18)17-16-11/h6-7,9-10H,2-5,8H2,1H3,(H,15,19)(H,17,18)
InChIKeyAUEMLTCBMYJJEI-UHFFFAOYSA-N
XLogP0.48
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate?
The IUPAC name of methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate (CID 108745197) is methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate is COC(=O)C1CCCCC1CNC(=O)c1ccc(=O)[nH]n1.
What is the InChIKey of methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate?
The InChIKey is AUEMLTCBMYJJEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-14(20)10-5-3-2-4-9(10)8-15-13(19)11-6-7-12(18)17-16-11/h6-7,9-10H,2-5,8H2,1H3,(H,15,19)(H,17,18).
What are the key properties of methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate?
methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 0.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[(6-oxo-1H-pyridazine-3-carbonyl)amino]methyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 108745197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).