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

C20H21N5O — CID 126936315

IUPAC6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1C1CCC(Nc2ccncc2)CC1
InChIInChI=1S/C20H21N5O/c26-20-8-7-19(15-2-1-11-22-14-15)24-25(20)18-5-3-16(4-6-18)23-17-9-12-21-13-10-17/h1-2,7-14,16,18H,3-6H2,(H,21,23)
InChIKeyOVAXRAXSNGNUPW-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.30
Rot. Bonds4

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

6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one (PubChem CID 126936315) has the molecular formula C20H21N5O and a molecular weight of 347.42 g/mol. Its IUPAC name is 6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one.

Molecular Properties

Compound Name6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
PubChem CID126936315
Molecular FormulaC20H21N5O
Molecular Weight347.42 g/mol
Exact Mass347.17
IUPAC Name6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1C1CCC(Nc2ccncc2)CC1
InChIInChI=1S/C20H21N5O/c26-20-8-7-19(15-2-1-11-22-14-15)24-25(20)18-5-3-16(4-6-18)23-17-9-12-21-13-10-17/h1-2,7-14,16,18H,3-6H2,(H,21,23)
InChIKeyOVAXRAXSNGNUPW-UHFFFAOYSA-N
XLogP3.30
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936318
6-pyridin-3-yl-2-[4-(pyrido[3,4-d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936514
2-[4-[(5-cyclopropyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936354
6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one
CID 126936312
2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936493
2-[4-[[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936441
6-pyridin-3-yl-2-[4-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936442
2-[4-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936445
1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
CID 126936204
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 126936200
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126936292
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]oxolane-2-carboxamide
CID 126936236

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one?
The IUPAC name of 6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one (CID 126936315) is 6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one.
What is the SMILES notation for 6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one?
The canonical SMILES for 6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one is O=c1ccc(-c2cccnc2)nn1C1CCC(Nc2ccncc2)CC1.
What is the InChIKey of 6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one?
The InChIKey is OVAXRAXSNGNUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O/c26-20-8-7-19(15-2-1-11-22-14-15)24-25(20)18-5-3-16(4-6-18)23-17-9-12-21-13-10-17/h1-2,7-14,16,18H,3-6H2,(H,21,23).
What are the key properties of 6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one?
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one has a molecular weight of 347.42 g/mol, XLogP of 3.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one is sourced from PubChem (CID 126936315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).