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

C24H22N6O2 — CID 126936220

IUPACN-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
SMILESO=C(NC1CCC(n2nc(-c3cccnc3)ccc2=O)CC1)c1cnc2ccccc2n1
InChIInChI=1S/C24H22N6O2/c31-23-12-11-19(16-4-3-13-25-14-16)29-30(23)18-9-7-17(8-10-18)27-24(32)22-15-26-20-5-1-2-6-21(20)28-22/h1-6,11-15,17-18H,7-10H2,(H,27,32)
InChIKeyASOCJDUNJJKLRB-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.16
Rot. Bonds4

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

N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide (PubChem CID 126936220) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide.

Molecular Properties

Compound NameN-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
PubChem CID126936220
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC NameN-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
SMILESO=C(NC1CCC(n2nc(-c3cccnc3)ccc2=O)CC1)c1cnc2ccccc2n1
InChIInChI=1S/C24H22N6O2/c31-23-12-11-19(16-4-3-13-25-14-16)29-30(23)18-9-7-17(8-10-18)27-24(32)22-15-26-20-5-1-2-6-21(20)28-22/h1-6,11-15,17-18H,7-10H2,(H,27,32)
InChIKeyASOCJDUNJJKLRB-UHFFFAOYSA-N
XLogP3.16
TPSA102.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide
CID 126934572
1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
CID 126936204
5-methyl-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]-1,2-oxazole-3-carboxamide
CID 126936222
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]-1H-indole-3-carboxamide
CID 126936213
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
2-(1H-indol-3-yl)-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]acetamide
CID 126936252
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]oxolane-2-carboxamide
CID 126936236
6-pyridin-3-yl-2-[4-(pyridin-4-ylamino)cyclohexyl]pyridazin-3-one
CID 126936315
6-phenyl-2-[1-(quinoxaline-2-carbonyl)azetidin-3-yl]pyridazin-3-one
CID 139023744
6-pyridin-3-yl-2-[4-[[5-(trifluoromethyl)-2-pyridinyl]amino]cyclohexyl]pyridazin-3-one
CID 126936312

Frequently Asked Questions

What is the IUPAC name of N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide?
The IUPAC name of N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide (CID 126936220) is N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide.
What is the SMILES notation for N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide?
The canonical SMILES for N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide is O=C(NC1CCC(n2nc(-c3cccnc3)ccc2=O)CC1)c1cnc2ccccc2n1.
What is the InChIKey of N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide?
The InChIKey is ASOCJDUNJJKLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c31-23-12-11-19(16-4-3-13-25-14-16)29-30(23)18-9-7-17(8-10-18)27-24(32)22-15-26-20-5-1-2-6-21(20)28-22/h1-6,11-15,17-18H,7-10H2,(H,27,32).
What are the key properties of N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide?
N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]quinoxaline-2-carboxamide is sourced from PubChem (CID 126936220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).