6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one

C21H23N5O — CID 126936811

IUPAC6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1CCC(NCc2ccncc2)CC1
InChIInChI=1S/C21H23N5O/c27-21-6-5-20(17-9-13-23-14-10-17)25-26(21)19-3-1-18(2-4-19)24-15-16-7-11-22-12-8-16/h5-14,18-19,24H,1-4,15H2
InChIKeyFIIJFQNJSRDAGN-UHFFFAOYSA-N
MW361.45 g/mol
LogP2.97
Rot. Bonds5

About 6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one

6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126936811) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
PubChem CID126936811
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(-c2ccncc2)nn1C1CCC(NCc2ccncc2)CC1
InChIInChI=1S/C21H23N5O/c27-21-6-5-20(17-9-13-23-14-10-17)25-26(21)19-3-1-18(2-4-19)24-15-16-7-11-22-12-8-16/h5-14,18-19,24H,1-4,15H2
InChIKeyFIIJFQNJSRDAGN-UHFFFAOYSA-N
XLogP2.97
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-pyridin-4-yl-2-[4-(thiadiazol-4-ylmethylamino)cyclohexyl]pyridazin-3-one
CID 126936730
2-[4-[(2-methoxyphenyl)methylamino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936695
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
2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936768
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936678
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
2-[4-[(2-propan-2-ylpyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936752
2-[4-(1H-indol-3-ylmethylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936379
2-[4-[(2-methylpyrido[3,4-d]pyrimidin-4-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936839
5-cyclopropyl-N-[4-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)cyclohexyl]-1H-pyrazole-3-carboxamide
CID 126936613
2-[4-[(6-fluoro-1,3-benzoxazol-2-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936834

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one (CID 126936811) is 6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one is O=c1ccc(-c2ccncc2)nn1C1CCC(NCc2ccncc2)CC1.
What is the InChIKey of 6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is FIIJFQNJSRDAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c27-21-6-5-20(17-9-13-23-14-10-17)25-26(21)19-3-1-18(2-4-19)24-15-16-7-11-22-12-8-16/h5-14,18-19,24H,1-4,15H2.
What are the key properties of 6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one?
6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 361.45 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-4-yl-2-[4-(pyridin-4-ylmethylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126936811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).