methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate

C17H24N4O2 — CID 133444578

IUPACmethyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1CCCN(c2nnc(C)c(C)c2C#N)C1
InChIInChI=1S/C17H24N4O2/c1-11-12(2)19-20-15(14(11)9-18)21-8-6-7-13(10-21)17(3,4)16(22)23-5/h13H,6-8,10H2,1-5H3
InChIKeySZDOZJXOQNZGTN-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.38
Rot. Bonds3

About methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate

methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate (PubChem CID 133444578) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate
PubChem CID133444578
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC Namemethyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate
SMILESCOC(=O)C(C)(C)C1CCCN(c2nnc(C)c(C)c2C#N)C1
InChIInChI=1S/C17H24N4O2/c1-11-12(2)19-20-15(14(11)9-18)21-8-6-7-13(10-21)17(3,4)16(22)23-5/h13H,6-8,10H2,1-5H3
InChIKeySZDOZJXOQNZGTN-UHFFFAOYSA-N
XLogP2.38
TPSA79.11 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate with MolForge

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Related Compounds

methyl 2-[1-(3-chloro-4-cyano-1,2-thiazol-5-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444413
3-[3-(dimethylamino)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 63091576
3-(3,4-dimethoxypyrrolidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 103533404
[(3R)-1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]methanesulfonamide
CID 95623005
5,6-dimethyl-3-[(3R)-3-(2-oxoimidazolidin-1-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 95590461
3-(4-formylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 80516292
3-[(3S)-3-[3-(dimethylamino)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 124882909
2-[1-(4-cyanopyridazin-3-yl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197968
(2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129489772
5-chloro-4,6-dimethyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 171691304
5,6-dimethyl-3-[(3R)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 95766144
3-[4-(2-aminoethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 80515197

Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate?
The IUPAC name of methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate (CID 133444578) is methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate.
What is the SMILES notation for methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate?
The canonical SMILES for methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate is COC(=O)C(C)(C)C1CCCN(c2nnc(C)c(C)c2C#N)C1.
What is the InChIKey of methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate?
The InChIKey is SZDOZJXOQNZGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-11-12(2)19-20-15(14(11)9-18)21-8-6-7-13(10-21)17(3,4)16(22)23-5/h13H,6-8,10H2,1-5H3.
What are the key properties of methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate?
methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate has a molecular weight of 316.41 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate is sourced from PubChem (CID 133444578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).