N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide

C20H30N4O3 — CID 126931271

IUPACN-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCC1CCCCN1c1ccc(=O)n(C2CCCC2O)n1)C1CCC1
InChIInChI=1S/C20H30N4O3/c25-17-9-4-8-16(17)24-19(26)11-10-18(22-24)23-12-2-1-7-15(23)13-21-20(27)14-5-3-6-14/h10-11,14-17,25H,1-9,12-13H2,(H,21,27)
InChIKeyIRDBTDBMHRVARQ-UHFFFAOYSA-N
MW374.49 g/mol
LogP1.60
Rot. Bonds5

About N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide

N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide (PubChem CID 126931271) has the molecular formula C20H30N4O3 and a molecular weight of 374.49 g/mol. Its IUPAC name is N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide.

Molecular Properties

Compound NameN-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide
PubChem CID126931271
Molecular FormulaC20H30N4O3
Molecular Weight374.49 g/mol
Exact Mass374.23
IUPAC NameN-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide
SMILESO=C(NCC1CCCCN1c1ccc(=O)n(C2CCCC2O)n1)C1CCC1
InChIInChI=1S/C20H30N4O3/c25-17-9-4-8-16(17)24-19(26)11-10-18(22-24)23-12-2-1-7-15(23)13-21-20(27)14-5-3-6-14/h10-11,14-17,25H,1-9,12-13H2,(H,21,27)
InChIKeyIRDBTDBMHRVARQ-UHFFFAOYSA-N
XLogP1.60
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 126931518
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]pyrimidine-2-carboxamide
CID 126931295
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126931297
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1,3-thiazole-4-carboxamide
CID 126931306
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]pyrazine-2-carboxamide
CID 126931269
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-methylpyrazole-3-carboxamide
CID 126931313
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 126931292
N-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126931513
5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126931311
2-(2-hydroxycyclopentyl)-6-[2-[[(1-propan-2-ylpiperidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931396
2-(2-hydroxycyclopentyl)-6-[2-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931459
6-[2-[[(6-cyclopropylpyridazin-3-yl)amino]methyl]piperidin-1-yl]-2-(2-hydroxycyclopentyl)pyridazin-3-one
CID 126931360

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide?
The IUPAC name of N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide (CID 126931271) is N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide.
What is the SMILES notation for N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide?
The canonical SMILES for N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide is O=C(NCC1CCCCN1c1ccc(=O)n(C2CCCC2O)n1)C1CCC1.
What is the InChIKey of N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide?
The InChIKey is IRDBTDBMHRVARQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O3/c25-17-9-4-8-16(17)24-19(26)11-10-18(22-24)23-12-2-1-7-15(23)13-21-20(27)14-5-3-6-14/h10-11,14-17,25H,1-9,12-13H2,(H,21,27).
What are the key properties of N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide?
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide has a molecular weight of 374.49 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide is sourced from PubChem (CID 126931271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).