N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide

C21H27N5O4 — CID 126931292

IUPACN-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCC1CCCCN1c1ccc(=O)n(C2CCCC2O)n1)c1cc[nH]c(=O)c1
InChIInChI=1S/C21H27N5O4/c27-17-6-3-5-16(17)26-20(29)8-7-18(24-26)25-11-2-1-4-15(25)13-23-21(30)14-9-10-22-19(28)12-14/h7-10,12,15-17,27H,1-6,11,13H2,(H,22,28)(H,23,30)
InChIKeyMKFBHTPOGZSYFW-UHFFFAOYSA-N
MW413.48 g/mol
LogP0.81
Rot. Bonds5

About N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide

N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 126931292) has the molecular formula C21H27N5O4 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID126931292
Molecular FormulaC21H27N5O4
Molecular Weight413.48 g/mol
Exact Mass413.21
IUPAC NameN-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESO=C(NCC1CCCCN1c1ccc(=O)n(C2CCCC2O)n1)c1cc[nH]c(=O)c1
InChIInChI=1S/C21H27N5O4/c27-17-6-3-5-16(17)26-20(29)8-7-18(24-26)25-11-2-1-4-15(25)13-23-21(30)14-9-10-22-19(28)12-14/h7-10,12,15-17,27H,1-6,11,13H2,(H,22,28)(H,23,30)
InChIKeyMKFBHTPOGZSYFW-UHFFFAOYSA-N
XLogP0.81
TPSA120.32 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[[1-(1-methyl-6-oxopyridazin-3-yl)piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide
CID 126930642
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126931297
N-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-4-carboxamide
CID 126931513
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclobutanecarboxamide
CID 126931271
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]-2-methylpyrazole-3-carboxamide
CID 126931313
5-cyclopropyl-N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-1H-pyrazole-3-carboxamide
CID 126931311
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]-1,3-thiazole-4-carboxamide
CID 126931306
N-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]cyclopent-3-ene-1-carboxamide
CID 126931518
2-(2-hydroxycyclopentyl)-6-[2-[[(1-methyl-6-oxopyrimidin-4-yl)amino]methyl]piperidin-1-yl]pyridazin-3-one
CID 126931459
6-[[1-[1-(2-hydroxycyclohexyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methylamino]-3-methyl-1H-pyrimidine-2,4-dione
CID 126931572

Frequently Asked Questions

What is the IUPAC name of N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide (CID 126931292) is N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide is O=C(NCC1CCCCN1c1ccc(=O)n(C2CCCC2O)n1)c1cc[nH]c(=O)c1.
What is the InChIKey of N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is MKFBHTPOGZSYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4/c27-17-6-3-5-16(17)26-20(29)8-7-18(24-26)25-11-2-1-4-15(25)13-23-21(30)14-9-10-22-19(28)12-14/h7-10,12,15-17,27H,1-6,11,13H2,(H,22,28)(H,23,30).
What are the key properties of N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide?
N-[[1-[1-(2-hydroxycyclopentyl)-6-oxopyridazin-3-yl]piperidin-2-yl]methyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 7 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]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 126931292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).