2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one

C23H26N4O2 — CID 126936695

IUPAC2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCOc1ccccc1CNC1CCC(n2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C23H26N4O2/c1-29-22-5-3-2-4-18(22)16-25-19-6-8-20(9-7-19)27-23(28)11-10-21(26-27)17-12-14-24-15-13-17/h2-5,10-15,19-20,25H,6-9,16H2,1H3
InChIKeyLUDQYZNBZLJPPY-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.59
Rot. Bonds6

About 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one

2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one (PubChem CID 126936695) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
PubChem CID126936695
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
SMILESCOc1ccccc1CNC1CCC(n2nc(-c3ccncc3)ccc2=O)CC1
InChIInChI=1S/C23H26N4O2/c1-29-22-5-3-2-4-18(22)16-25-19-6-8-20(9-7-19)27-23(28)11-10-21(26-27)17-12-14-24-15-13-17/h2-5,10-15,19-20,25H,6-9,16H2,1H3
InChIKeyLUDQYZNBZLJPPY-UHFFFAOYSA-N
XLogP3.59
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936811
2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126935754
6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936730
2-[4-[(2-chloro-3-methoxyphenyl)methylamino]oxolan-3-yl]-6-pyridin-4-ylpyridazin-3-one
CID 126940339
2-[4-[(2-chloro-3-methoxyphenyl)methylamino]cyclohexyl]-6-(1,2,4-triazol-1-yl)pyridazin-3-one
CID 126937300
2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936379
2-[4-[(2-hydroxycyclobutyl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936787
2-[4-[1-(5-methylfuran-2-yl)ethylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936711
7-[(2-methoxyphenyl)methylamino]-2-(4-methylphenyl)-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
CID 91888513
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
N-[(2-methoxyphenyl)methyl]cyclooctanamine;hydrochloride
CID 17331524
2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936768

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The IUPAC name of 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one (CID 126936695) is 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one is COc1ccccc1CNC1CCC(n2nc(-c3ccncc3)ccc2=O)CC1.
What is the InChIKey of 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
The InChIKey is LUDQYZNBZLJPPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-22-5-3-2-4-18(22)16-25-19-6-8-20(9-7-19)27-23(28)11-10-21(26-27)17-12-14-24-15-13-17/h2-5,10-15,19-20,25H,6-9,16H2,1H3.
What are the key properties of 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one?
2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one has a molecular weight of 390.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one is sourced from PubChem (CID 126936695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).