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

C17H20N6O2 — CID 47089496

IUPACN-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3nnc(C)c(C)c3C#N)CC2)on1
InChIInChI=1S/C17H20N6O2/c1-10-8-15(25-22-10)17(24)19-13-4-6-23(7-5-13)16-14(9-18)11(2)12(3)20-21-16/h8,13H,4-7H2,1-3H3,(H,19,24)
InChIKeyWTZRQGPHJWSUHS-UHFFFAOYSA-N
MW340.39 g/mol
LogP1.66
Rot. Bonds3

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

N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 47089496) has the molecular formula C17H20N6O2 and a molecular weight of 340.39 g/mol. Its IUPAC name is N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID47089496
Molecular FormulaC17H20N6O2
Molecular Weight340.39 g/mol
Exact Mass340.16
IUPAC NameN-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCc1cc(C(=O)NC2CCN(c3nnc(C)c(C)c3C#N)CC2)on1
InChIInChI=1S/C17H20N6O2/c1-10-8-15(25-22-10)17(24)19-13-4-6-23(7-5-13)16-14(9-18)11(2)12(3)20-21-16/h8,13H,4-7H2,1-3H3,(H,19,24)
InChIKeyWTZRQGPHJWSUHS-UHFFFAOYSA-N
XLogP1.66
TPSA107.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide (CID 47089496) is N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide is Cc1cc(C(=O)NC2CCN(c3nnc(C)c(C)c3C#N)CC2)on1.
What is the InChIKey of N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is WTZRQGPHJWSUHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O2/c1-10-8-15(25-22-10)17(24)19-13-4-6-23(7-5-13)16-14(9-18)11(2)12(3)20-21-16/h8,13H,4-7H2,1-3H3,(H,19,24).
What are the key properties of N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 340.39 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-cyano-5,6-dimethylpyridazin-3-yl)piperidin-4-yl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 47089496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).