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

C20H22N6O2 — CID 126936292

IUPAC2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCC(n2nc(-c3cccnc3)ccc2=O)CC1
InChIInChI=1S/C20H22N6O2/c1-25-18(10-12-22-25)20(28)23-15-4-6-16(7-5-15)26-19(27)9-8-17(24-26)14-3-2-11-21-13-14/h2-3,8-13,15-16H,4-7H2,1H3,(H,23,28)
InChIKeyBNTZZHREYPWOSZ-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.95
Rot. Bonds4

About 2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide

2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide (PubChem CID 126936292) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
PubChem CID126936292
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
SMILESCn1nccc1C(=O)NC1CCC(n2nc(-c3cccnc3)ccc2=O)CC1
InChIInChI=1S/C20H22N6O2/c1-25-18(10-12-22-25)20(28)23-15-4-6-16(7-5-15)26-19(27)9-8-17(24-26)14-3-2-11-21-13-14/h2-3,8-13,15-16H,4-7H2,1H3,(H,23,28)
InChIKeyBNTZZHREYPWOSZ-UHFFFAOYSA-N
XLogP1.95
TPSA94.70 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
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]oxolane-2-carboxamide
CID 126936236
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1H-indole-3-carboxamide
CID 126936213
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-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide
CID 126936252
2-[4-[(4,6-dimethylpyrimidin-2-yl)amino]cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
CID 126936318
2-methyl-N-(4-oxocyclohexyl)pyrazole-3-carboxamide
CID 62920465

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide?
The IUPAC name of 2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide (CID 126936292) is 2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide.
What is the SMILES notation for 2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide?
The canonical SMILES for 2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide is Cn1nccc1C(=O)NC1CCC(n2nc(-c3cccnc3)ccc2=O)CC1.
What is the InChIKey of 2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide?
The InChIKey is BNTZZHREYPWOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-25-18(10-12-22-25)20(28)23-15-4-6-16(7-5-15)26-19(27)9-8-17(24-26)14-3-2-11-21-13-14/h2-3,8-13,15-16H,4-7H2,1H3,(H,23,28).
What are the key properties of 2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide?
2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide has a molecular weight of 378.44 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide is sourced from PubChem (CID 126936292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).