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

C17H28N4O3 — CID 91924088

IUPACN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(c2cnn(CCOC)c(=O)c2)CC1
InChIInChI=1S/C17H28N4O3/c1-3-4-5-16(22)19-14-6-8-20(9-7-14)15-12-17(23)21(18-13-15)10-11-24-2/h12-14H,3-11H2,1-2H3,(H,19,22)
InChIKeyOUOQURSMSMGZQX-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.16
Rot. Bonds8

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

N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]pentanamide (PubChem CID 91924088) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]pentanamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]pentanamide
PubChem CID91924088
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]pentanamide
SMILESCCCCC(=O)NC1CCN(c2cnn(CCOC)c(=O)c2)CC1
InChIInChI=1S/C17H28N4O3/c1-3-4-5-16(22)19-14-6-8-20(9-7-14)15-12-17(23)21(18-13-15)10-11-24-2/h12-14H,3-11H2,1-2H3,(H,19,22)
InChIKeyOUOQURSMSMGZQX-UHFFFAOYSA-N
XLogP1.16
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]pentanamide?
The IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]pentanamide (CID 91924088) is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]pentanamide.
What is the SMILES notation for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]pentanamide?
The canonical SMILES for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]pentanamide is CCCCC(=O)NC1CCN(c2cnn(CCOC)c(=O)c2)CC1.
What is the InChIKey of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]pentanamide?
The InChIKey is OUOQURSMSMGZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-3-4-5-16(22)19-14-6-8-20(9-7-14)15-12-17(23)21(18-13-15)10-11-24-2/h12-14H,3-11H2,1-2H3,(H,19,22).
What are the key properties of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]pentanamide?
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]pentanamide has a molecular weight of 336.44 g/mol, XLogP of 1.16, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]pentanamide is sourced from PubChem (CID 91924088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).