methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate

C15H21N3O4 — CID 171682287

IUPACmethyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cn[nH]c(=O)c1)C1CCCCC1
InChIInChI=1S/C15H21N3O4/c1-22-14(20)8-12(10-5-3-2-4-6-10)17-15(21)11-7-13(19)18-16-9-11/h7,9-10,12H,2-6,8H2,1H3,(H,17,21)(H,18,19)
InChIKeyABJIJUJRNXOFFW-UHFFFAOYSA-N
MW307.35 g/mol
LogP1.01
Rot. Bonds5

About methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate

methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate (PubChem CID 171682287) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate
PubChem CID171682287
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Namemethyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate
SMILESCOC(=O)CC(NC(=O)c1cn[nH]c(=O)c1)C1CCCCC1
InChIInChI=1S/C15H21N3O4/c1-22-14(20)8-12(10-5-3-2-4-6-10)17-15(21)11-7-13(19)18-16-9-11/h7,9-10,12H,2-6,8H2,1H3,(H,17,21)(H,18,19)
InChIKeyABJIJUJRNXOFFW-UHFFFAOYSA-N
XLogP1.01
TPSA101.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate with MolForge

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Related Compounds

methyl (3R)-3-cyclopropyl-3-(1H-pyrazole-5-carbonylamino)propanoate
CID 97062521
N-(1-cyclohexylpropyl)-2-oxo-1H-pyridine-4-carboxamide
CID 103765034
methyl 3-cyclohexyl-3-[(4-methoxyphenoxy)carbonylamino]propanoate
CID 171682544
methyl 6-oxo-1H-pyridazine-4-carboxylate
CID 53249880
methyl 3-cyclopropyl-3-[(4-imidazol-1-ylbenzoyl)amino]propanoate
CID 71973763
N-(2-amino-1-cyclohexylethyl)-5-methylpyridine-3-carboxamide
CID 81486901
4-amino-N-(1-cyclohexylpropyl)-1H-pyrazole-5-carboxamide
CID 55179184
methyl 3-[(4-fluorobenzoyl)amino]-3-(oxetan-3-yl)propanoate
CID 175544254
N-iodo-6-oxo-1H-pyridazine-4-carboxamide
CID 131970796
N-(2-amino-1-cyclohexylethyl)-3,5-dimethoxy-4-methylbenzamide;hydrochloride
CID 119592013
N-(2-amino-1-cyclohexylethyl)-5-fluoropyridine-3-carboxamide;dihydrochloride
CID 119589722
methyl 3-cyclopentyl-3-[(4-fluorophenyl)methylamino]propanoate
CID 58000258

Frequently Asked Questions

What is the IUPAC name of methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate?
The IUPAC name of methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate (CID 171682287) is methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate.
What is the SMILES notation for methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate?
The canonical SMILES for methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate is COC(=O)CC(NC(=O)c1cn[nH]c(=O)c1)C1CCCCC1.
What is the InChIKey of methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate?
The InChIKey is ABJIJUJRNXOFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-22-14(20)8-12(10-5-3-2-4-6-10)17-15(21)11-7-13(19)18-16-9-11/h7,9-10,12H,2-6,8H2,1H3,(H,17,21)(H,18,19).
What are the key properties of methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate?
methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate has a molecular weight of 307.35 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-cyclohexyl-3-[(6-oxo-1H-pyridazine-4-carbonyl)amino]propanoate is sourced from PubChem (CID 171682287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).