1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H17N3O3 — CID 120539383

IUPAC1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)c1ccnnc1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C13H17N3O3/c1-16(11(17)10-5-8-14-15-9-10)13(12(18)19)6-3-2-4-7-13/h5,8-9H,2-4,6-7H2,1H3,(H,18,19)
InChIKeyQURYIAAKGXUJTM-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.34
Rot. Bonds3

About 1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid

1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120539383) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120539383
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCN(C(=O)c1ccnnc1)C1(C(=O)O)CCCCC1
InChIInChI=1S/C13H17N3O3/c1-16(11(17)10-5-8-14-15-9-10)13(12(18)19)6-3-2-4-7-13/h5,8-9H,2-4,6-7H2,1H3,(H,18,19)
InChIKeyQURYIAAKGXUJTM-UHFFFAOYSA-N
XLogP1.34
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[methyl-(6-propan-2-yloxypyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120540043
1-[(4-iodobenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539598
1-[furan-3-carbonyl(methyl)amino]cyclohexane-1-carboxylic acid
CID 120540079
1-[(3-fluoro-4-methylbenzoyl)-methylamino]cyclohexane-1-carboxylic acid
CID 120539250
1-[methyl-(2-oxo-1H-pyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539554
1-[[1-(4-chlorophenyl)pyrazole-4-carbonyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539928
1-[methyl-[4-(5-methyl-1,3,4-oxadiazol-2-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539698
1-[methyl-[4-(2-oxoimidazolidin-1-yl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120540235
1-[[4-(2-methoxyethoxy)benzoyl]-methylamino]cyclohexane-1-carboxylic acid
CID 120539358
1-[methyl-[4-(propan-2-ylsulfamoyl)benzoyl]amino]cyclohexane-1-carboxylic acid
CID 120539772
1-[methyl-(3-nitrobenzoyl)amino]cyclohexane-1-carboxylic acid
CID 120539896
1-[methyl-(2-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120539616

Frequently Asked Questions

What is the IUPAC name of 1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120539383) is 1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is CN(C(=O)c1ccnnc1)C1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is QURYIAAKGXUJTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-16(11(17)10-5-8-14-15-9-10)13(12(18)19)6-3-2-4-7-13/h5,8-9H,2-4,6-7H2,1H3,(H,18,19).
What are the key properties of 1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid?
1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl(pyridazine-4-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120539383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).