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

C17H26N4O3 — CID 91924079

IUPACN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCOCCn1ncc(N2CCC(NC(=O)C3CCC3)CC2)cc1=O
InChIInChI=1S/C17H26N4O3/c1-24-10-9-21-16(22)11-15(12-18-21)20-7-5-14(6-8-20)19-17(23)13-3-2-4-13/h11-14H,2-10H2,1H3,(H,19,23)
InChIKeyLHANEAWTKRKNRR-UHFFFAOYSA-N
MW334.42 g/mol
LogP0.77
Rot. Bonds6

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

N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]cyclobutanecarboxamide (PubChem CID 91924079) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]cyclobutanecarboxamide
PubChem CID91924079
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]cyclobutanecarboxamide
SMILESCOCCn1ncc(N2CCC(NC(=O)C3CCC3)CC2)cc1=O
InChIInChI=1S/C17H26N4O3/c1-24-10-9-21-16(22)11-15(12-18-21)20-7-5-14(6-8-20)19-17(23)13-3-2-4-13/h11-14H,2-10H2,1H3,(H,19,23)
InChIKeyLHANEAWTKRKNRR-UHFFFAOYSA-N
XLogP0.77
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 50.77
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]cyclobutanecarboxamide?
The IUPAC name of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]cyclobutanecarboxamide (CID 91924079) is N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]cyclobutanecarboxamide.
What is the SMILES notation for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]cyclobutanecarboxamide?
The canonical SMILES for N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]cyclobutanecarboxamide is COCCn1ncc(N2CCC(NC(=O)C3CCC3)CC2)cc1=O.
What is the InChIKey of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]cyclobutanecarboxamide?
The InChIKey is LHANEAWTKRKNRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-24-10-9-21-16(22)11-15(12-18-21)20-7-5-14(6-8-20)19-17(23)13-3-2-4-13/h11-14H,2-10H2,1H3,(H,19,23).
What are the key properties of N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]cyclobutanecarboxamide?
N-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-4-yl]cyclobutanecarboxamide has a molecular weight of 334.42 g/mol, XLogP of 0.77, 6 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]cyclobutanecarboxamide is sourced from PubChem (CID 91924079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).