2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C14H19N3O4 — CID 120545640

IUPAC2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1nc(C(=O)NC2(C)CCCCC2C(=O)O)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-14(8-4-3-5-9(14)13(20)21)15-12(19)10-6-7-11(18)17(2)16-10/h6-7,9H,3-5,8H2,1-2H3,(H,15,19)(H,20,21)
InChIKeyVLZXQJXUZOBKGR-UHFFFAOYSA-N
MW293.32 g/mol
LogP0.54
Rot. Bonds3

About 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 120545640) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID120545640
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCn1nc(C(=O)NC2(C)CCCCC2C(=O)O)ccc1=O
InChIInChI=1S/C14H19N3O4/c1-14(8-4-3-5-9(14)13(20)21)15-12(19)10-6-7-11(18)17(2)16-10/h6-7,9H,3-5,8H2,1-2H3,(H,15,19)(H,20,21)
InChIKeyVLZXQJXUZOBKGR-UHFFFAOYSA-N
XLogP0.54
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 120545640) is 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is Cn1nc(C(=O)NC2(C)CCCCC2C(=O)O)ccc1=O.
What is the InChIKey of 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is VLZXQJXUZOBKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c1-14(8-4-3-5-9(14)13(20)21)15-12(19)10-6-7-11(18)17(2)16-10/h6-7,9H,3-5,8H2,1-2H3,(H,15,19)(H,20,21).
What are the key properties of 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 0.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1-methyl-6-oxopyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).