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

C17H28N4O2 — CID 91924044

IUPAC2-ethyl-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
SMILESCCC(CC)C(=O)NC1CCN(c2cnn(CC)c(=O)c2)CC1
InChIInChI=1S/C17H28N4O2/c1-4-13(5-2)17(23)19-14-7-9-20(10-8-14)15-11-16(22)21(6-3)18-12-15/h11-14H,4-10H2,1-3H3,(H,19,23)
InChIKeyPWIIQSSFXPPUOY-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.78
Rot. Bonds6

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

2-ethyl-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide (PubChem CID 91924044) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-ethyl-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
PubChem CID91924044
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-ethyl-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide
SMILESCCC(CC)C(=O)NC1CCN(c2cnn(CC)c(=O)c2)CC1
InChIInChI=1S/C17H28N4O2/c1-4-13(5-2)17(23)19-14-7-9-20(10-8-14)15-11-16(22)21(6-3)18-12-15/h11-14H,4-10H2,1-3H3,(H,19,23)
InChIKeyPWIIQSSFXPPUOY-UHFFFAOYSA-N
XLogP1.78
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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 2-ethyl-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The IUPAC name of 2-ethyl-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide (CID 91924044) is 2-ethyl-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide is CCC(CC)C(=O)NC1CCN(c2cnn(CC)c(=O)c2)CC1.
What is the InChIKey of 2-ethyl-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
The InChIKey is PWIIQSSFXPPUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-4-13(5-2)17(23)19-14-7-9-20(10-8-14)15-11-16(22)21(6-3)18-12-15/h11-14H,4-10H2,1-3H3,(H,19,23).
What are the key properties of 2-ethyl-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide?
2-ethyl-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide has a molecular weight of 320.44 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-(1-ethyl-6-oxopyridazin-4-yl)piperidin-4-yl]butanamide is sourced from PubChem (CID 91924044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).