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

C16H26N4O2 — CID 91924064

IUPACN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCCn1ncc(N2CCC(NC(=O)C(C)(C)C)CC2)cc1=O
InChIInChI=1S/C16H26N4O2/c1-5-20-14(21)10-13(11-17-20)19-8-6-12(7-9-19)18-15(22)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,18,22)
InChIKeyWONCQWNYRUWCID-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.39
Rot. Bonds3

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

N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide (PubChem CID 91924064) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide
PubChem CID91924064
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC NameN-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide
SMILESCCn1ncc(N2CCC(NC(=O)C(C)(C)C)CC2)cc1=O
InChIInChI=1S/C16H26N4O2/c1-5-20-14(21)10-13(11-17-20)19-8-6-12(7-9-19)18-15(22)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,18,22)
InChIKeyWONCQWNYRUWCID-UHFFFAOYSA-N
XLogP1.39
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.39
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-dimethylpropanamide?
The IUPAC name of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide (CID 91924064) is N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide is CCn1ncc(N2CCC(NC(=O)C(C)(C)C)CC2)cc1=O.
What is the InChIKey of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide?
The InChIKey is WONCQWNYRUWCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-5-20-14(21)10-13(11-17-20)19-8-6-12(7-9-19)18-15(22)16(2,3)4/h10-12H,5-9H2,1-4H3,(H,18,22).
What are the key properties of N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide?
N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]-2,2-dimethylpropanamide has a molecular weight of 306.41 g/mol, XLogP of 1.39, 3 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-dimethylpropanamide is sourced from PubChem (CID 91924064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).