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

C18H30N4O3 — CID 91911849

IUPAC2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide
SMILESCCC(CC)C(=O)NC1CCN(c2cnn(CCOC)c(=O)c2)CC1
InChIInChI=1S/C18H30N4O3/c1-4-14(5-2)18(24)20-15-6-8-21(9-7-15)16-12-17(23)22(19-13-16)10-11-25-3/h12-15H,4-11H2,1-3H3,(H,20,24)
InChIKeyCDOCGJIGAZCJFR-UHFFFAOYSA-N
MW350.46 g/mol
LogP1.41
Rot. Bonds8

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

2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide (PubChem CID 91911849) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide
PubChem CID91911849
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide
SMILESCCC(CC)C(=O)NC1CCN(c2cnn(CCOC)c(=O)c2)CC1
InChIInChI=1S/C18H30N4O3/c1-4-14(5-2)18(24)20-15-6-8-21(9-7-15)16-12-17(23)22(19-13-16)10-11-25-3/h12-15H,4-11H2,1-3H3,(H,20,24)
InChIKeyCDOCGJIGAZCJFR-UHFFFAOYSA-N
XLogP1.41
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide?
The IUPAC name of 2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide (CID 91911849) is 2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide.
What is the SMILES notation for 2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide?
The canonical SMILES for 2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide is CCC(CC)C(=O)NC1CCN(c2cnn(CCOC)c(=O)c2)CC1.
What is the InChIKey of 2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide?
The InChIKey is CDOCGJIGAZCJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-4-14(5-2)18(24)20-15-6-8-21(9-7-15)16-12-17(23)22(19-13-16)10-11-25-3/h12-15H,4-11H2,1-3H3,(H,20,24).
What are the key properties of 2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide?
2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide has a molecular weight of 350.46 g/mol, XLogP of 1.41, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]butanamide is sourced from PubChem (CID 91911849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).