N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide

C20H26N6O2 — CID 126934997

IUPACN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NC2CCC(n3nc(C4CC4)ccc3=O)CC2)nn1
InChIInChI=1S/C20H26N6O2/c1-25(2)18-11-9-17(22-23-18)20(28)21-14-5-7-15(8-6-14)26-19(27)12-10-16(24-26)13-3-4-13/h9-15H,3-8H2,1-2H3,(H,21,28)
InChIKeyZCBUTPKGXOXFLO-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.89
Rot. Bonds5

About N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide

N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide (PubChem CID 126934997) has the molecular formula C20H26N6O2 and a molecular weight of 382.47 g/mol. Its IUPAC name is N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide
PubChem CID126934997
Molecular FormulaC20H26N6O2
Molecular Weight382.47 g/mol
Exact Mass382.21
IUPAC NameN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NC2CCC(n3nc(C4CC4)ccc3=O)CC2)nn1
InChIInChI=1S/C20H26N6O2/c1-25(2)18-11-9-17(22-23-18)20(28)21-14-5-7-15(8-6-14)26-19(27)12-10-16(24-26)13-3-4-13/h9-15H,3-8H2,1-2H3,(H,21,28)
InChIKeyZCBUTPKGXOXFLO-UHFFFAOYSA-N
XLogP1.89
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126934979
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-6-carboxamide
CID 126934963
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 126934947
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126935209
6-cyclopropyl-2-[4-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935074
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 126934957
2-(1-acetylpiperidin-4-yl)-6-cyclopropylpyridazin-3-one
CID 92549020
2-cyclobutyl-6-cyclopropylpyridazin-3-one
CID 126857338
1-methyl-6-oxo-N-[4-(6-oxo-3-pyridin-3-ylpyridazin-1-yl)cyclohexyl]pyridazine-3-carboxamide
CID 126936204
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2-(1H-indol-3-yl)acetamide
CID 126934959
6-cyclopropyl-2-[4-[(5-methylpyrimidin-2-yl)amino]cyclohexyl]pyridazin-3-one
CID 126935165
1,5-dimethyl-N-[4-(3-methyl-6-oxopyridazin-1-yl)cyclohexyl]pyrazole-3-carboxamide
CID 126934624

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide (CID 126934997) is N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide is CN(C)c1ccc(C(=O)NC2CCC(n3nc(C4CC4)ccc3=O)CC2)nn1.
What is the InChIKey of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide?
The InChIKey is ZCBUTPKGXOXFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N6O2/c1-25(2)18-11-9-17(22-23-18)20(28)21-14-5-7-15(8-6-14)26-19(27)12-10-16(24-26)13-3-4-13/h9-15H,3-8H2,1-2H3,(H,21,28).
What are the key properties of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide?
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide has a molecular weight of 382.47 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 126934997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).