1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide

C21H22N6O3 — CID 126936204

IUPAC1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(n3nc(-c4cccnc4)ccc3=O)CC2)ccc1=O
InChIInChI=1S/C21H22N6O3/c1-26-19(28)10-9-18(24-26)21(30)23-15-4-6-16(7-5-15)27-20(29)11-8-17(25-27)14-3-2-12-22-13-14/h2-3,8-13,15-16H,4-7H2,1H3,(H,23,30)
InChIKeyVIMYCIVENFADAV-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.31
Rot. Bonds4

About 1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide (PubChem CID 126936204) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
PubChem CID126936204
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC Name1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)NC2CCC(n3nc(-c4cccnc4)ccc3=O)CC2)ccc1=O
InChIInChI=1S/C21H22N6O3/c1-26-19(28)10-9-18(24-26)21(30)23-15-4-6-16(7-5-15)27-20(29)11-8-17(25-27)14-3-2-12-22-13-14/h2-3,8-13,15-16H,4-7H2,1H3,(H,23,30)
InChIKeyVIMYCIVENFADAV-UHFFFAOYSA-N
XLogP1.31
TPSA111.77 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide with MolForge

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Related Compounds

2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126936292
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 126936222
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126936220
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-5-carboxamide
CID 126936200
2,4-dimethyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,3-thiazole-5-carboxamide
CID 126936211
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1H-indole-3-carboxamide
CID 126936213
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]oxolane-2-carboxamide
CID 126936236
2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide
CID 126936252
2-[4-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936493
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936318
1,5-dimethyl-N-[4-(6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934286

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide (CID 126936204) is 1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide is Cn1nc(C(=O)NC2CCC(n3nc(-c4cccnc4)ccc3=O)CC2)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide?
The InChIKey is VIMYCIVENFADAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-26-19(28)10-9-18(24-26)21(30)23-15-4-6-16(7-5-15)27-20(29)11-8-17(25-27)14-3-2-12-22-13-14/h2-3,8-13,15-16H,4-7H2,1H3,(H,23,30).
What are the key properties of 1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide is sourced from PubChem (CID 126936204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).