4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

C13H17N3O3 — CID 139013608

IUPAC4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCC(C(=O)O)CC2)nn1
InChIInChI=1S/C13H17N3O3/c1-8-2-7-11(16-15-8)12(17)14-10-5-3-9(4-6-10)13(18)19/h2,7,9-10H,3-6H2,1H3,(H,14,17)(H,18,19)
InChIKeyASOPQDWLZKIARZ-UHFFFAOYSA-N
MW263.30 g/mol
LogP1.16
Rot. Bonds3

About 4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid

4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (PubChem CID 139013608) has the molecular formula C13H17N3O3 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
PubChem CID139013608
Molecular FormulaC13H17N3O3
Molecular Weight263.30 g/mol
Exact Mass263.13
IUPAC Name4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CCC(C(=O)O)CC2)nn1
InChIInChI=1S/C13H17N3O3/c1-8-2-7-11(16-15-8)12(17)14-10-5-3-9(4-6-10)13(18)19/h2,7,9-10H,3-6H2,1H3,(H,14,17)(H,18,19)
InChIKeyASOPQDWLZKIARZ-UHFFFAOYSA-N
XLogP1.16
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-hydroxycyclohexyl)-6-methylpyridazine-3-carboxamide
CID 118545205
4-[(5-bromopyridine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 62958596
4-[(2-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 60808371
N-cyclopropyl-6-phenylpyridazine-3-carboxamide
CID 113200511
4-(2H-triazole-4-carbonylamino)cyclohexane-1-carboxylic acid
CID 63283411
4-(1,2,5-thiadiazole-3-carbonylamino)cyclohexane-1-carboxylic acid
CID 60807914
4-[(1-phenyltriazole-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 119230187
trans-(1R,3R)-3-[(6-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 97318292
4-[(4-tert-butylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 119229777
4-[(2-iodo-3-methylbenzoyl)amino]cyclohexane-1-carboxylic acid
CID 103790909
4-[(2-methylpyrazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 54921251
N-cyclohexyl-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112450

Frequently Asked Questions

What is the IUPAC name of 4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid (CID 139013608) is 4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is Cc1ccc(C(=O)NC2CCC(C(=O)O)CC2)nn1.
What is the InChIKey of 4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
The InChIKey is ASOPQDWLZKIARZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O3/c1-8-2-7-11(16-15-8)12(17)14-10-5-3-9(4-6-10)13(18)19/h2,7,9-10H,3-6H2,1H3,(H,14,17)(H,18,19).
What are the key properties of 4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid?
4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-methylpyridazine-3-carbonyl)amino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 139013608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).