N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide

C17H28N4O2 — CID 91924060

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide
SMILESCCn1ncc(N2CCC(NC(=O)C(C)(C)CC)CC2)cc1=O
InChIInChI=1S/C17H28N4O2/c1-5-17(3,4)16(23)19-13-7-9-20(10-8-13)14-11-15(22)21(6-2)18-12-14/h11-13H,5-10H2,1-4H3,(H,19,23)
InChIKeyAWWOUWUZLBRMAV-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.78
Rot. Bonds5

About N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide (PubChem CID 91924060) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide
PubChem CID91924060
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide
SMILESCCn1ncc(N2CCC(NC(=O)C(C)(C)CC)CC2)cc1=O
InChIInChI=1S/C17H28N4O2/c1-5-17(3,4)16(23)19-13-7-9-20(10-8-13)14-11-15(22)21(6-2)18-12-14/h11-13H,5-10H2,1-4H3,(H,19,23)
InChIKeyAWWOUWUZLBRMAV-UHFFFAOYSA-N
XLogP1.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide (CID 91924060) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide is CCn1ncc(N2CCC(NC(=O)C(C)(C)CC)CC2)cc1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide?
The InChIKey is AWWOUWUZLBRMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-5-17(3,4)16(23)19-13-7-9-20(10-8-13)14-11-15(22)21(6-2)18-12-14/h11-13H,5-10H2,1-4H3,(H,19,23).
What are the key properties of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide has a molecular weight of 320.44 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylbutanamide is sourced from PubChem (CID 91924060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).