(2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide

C17H23N5O2 — CID 129489772

IUPAC(2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
SMILESCc1nnc(N2CCC([C@@H](O)C(=O)NC3CC3)CC2)c(C#N)c1C
InChIInChI=1S/C17H23N5O2/c1-10-11(2)20-21-16(14(10)9-18)22-7-5-12(6-8-22)15(23)17(24)19-13-3-4-13/h12-13,15,23H,3-8H2,1-2H3,(H,19,24)/t15-/m1/s1
InChIKeyYCHXWSDQVKHARV-OAHLLOKOSA-N
MW329.40 g/mol
LogP0.82
Rot. Bonds4

About (2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide

(2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide (PubChem CID 129489772) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is (2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide.

Molecular Properties

Compound Name(2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
PubChem CID129489772
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC Name(2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
SMILESCc1nnc(N2CCC([C@@H](O)C(=O)NC3CC3)CC2)c(C#N)c1C
InChIInChI=1S/C17H23N5O2/c1-10-11(2)20-21-16(14(10)9-18)22-7-5-12(6-8-22)15(23)17(24)19-13-3-4-13/h12-13,15,23H,3-8H2,1-2H3,(H,19,24)/t15-/m1/s1
InChIKeyYCHXWSDQVKHARV-OAHLLOKOSA-N
XLogP0.82
TPSA102.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 50.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide with MolForge

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Related Compounds

3-(4-formylpiperidin-1-yl)-5,6-dimethylpyridazine-4-carbonitrile
CID 80516292
N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
CID 47089496
(2S)-2-[1-(3-cyano-2-pyridinyl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide
CID 129490147
N-[(2S)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide
CID 36731543
N-[(2R)-butan-2-yl]-2-[4-(4-cyano-5,6-dimethylpyridazin-3-yl)piperazin-1-yl]acetamide
CID 36731540
3-[4-(2-aminoethyl)piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 80515197
(2R)-N-cyclopropyl-2-hydroxy-2-[1-(8-methylquinazolin-4-yl)piperidin-4-yl]acetamide
CID 129489930
5,6-dimethyl-3-(4-methylsulfonylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 36615863
methyl 2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-3-yl]-2-methylpropanoate
CID 133444578
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]acetamide
CID 129490037
(2S)-N-cyclopropyl-2-hydroxy-2-[1-(4-methylpyrimidin-2-yl)piperidin-4-yl]acetamide
CID 129489968
5,6-dimethyl-3-[4-(5-methylfuran-2-carbonyl)piperazin-1-yl]pyridazine-4-carbonitrile
CID 133279903

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The IUPAC name of (2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide (CID 129489772) is (2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide.
What is the SMILES notation for (2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The canonical SMILES for (2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide is Cc1nnc(N2CCC([C@@H](O)C(=O)NC3CC3)CC2)c(C#N)c1C.
What is the InChIKey of (2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
The InChIKey is YCHXWSDQVKHARV-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-10-11(2)20-21-16(14(10)9-18)22-7-5-12(6-8-22)15(23)17(24)19-13-3-4-13/h12-13,15,23H,3-8H2,1-2H3,(H,19,24)/t15-/m1/s1.
What are the key properties of (2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide?
(2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide has a molecular weight of 329.40 g/mol, XLogP of 0.82, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-N-cyclopropyl-2-hydroxyacetamide is sourced from PubChem (CID 129489772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).