N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C20H27N3O2 — CID 24616917

IUPACN-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCN(C(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)C1CCCCC1
InChIInChI=1S/C20H27N3O2/c1-3-22(16-9-5-4-6-10-16)20(25)18-12-13-19(24)23(21-18)17-11-7-8-15(2)14-17/h7-8,11,14,16H,3-6,9-10,12-13H2,1-2H3
InChIKeyXYFXCZSOHZFGLK-UHFFFAOYSA-N
MW341.45 g/mol
LogP3.66
Rot. Bonds4

About N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 24616917) has the molecular formula C20H27N3O2 and a molecular weight of 341.45 g/mol. Its IUPAC name is N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID24616917
Molecular FormulaC20H27N3O2
Molecular Weight341.45 g/mol
Exact Mass341.21
IUPAC NameN-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCCN(C(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)C1CCCCC1
InChIInChI=1S/C20H27N3O2/c1-3-22(16-9-5-4-6-10-16)20(25)18-12-13-19(24)23(21-18)17-11-7-8-15(2)14-17/h7-8,11,14,16H,3-6,9-10,12-13H2,1-2H3
InChIKeyXYFXCZSOHZFGLK-UHFFFAOYSA-N
XLogP3.66
TPSA52.98 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.45
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-1-(3-methylphenyl)-6-oxo-N-(2,2,2-trifluoroethyl)-4,5-dihydropyridazine-3-carboxamide
CID 8852109
N-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60549121
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 9437564
6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 945249
N-(1-acetylpiperidin-4-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 47010097
1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 60540374
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 9409703
N-[2-(N-ethyl-3-methylanilino)ethyl]-6-oxo-1-phenyl-4,5-dihydropyridazine-3-carboxamide
CID 112766031
N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 41252977
N-[2-(dimethylcarbamoyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55613221
6-(4-benzylpiperazine-1-carbonyl)-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 3978494
N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4880571

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 24616917) is N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is CCN(C(=O)C1=NN(c2cccc(C)c2)C(=O)CC1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is XYFXCZSOHZFGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-3-22(16-9-5-4-6-10-16)20(25)18-12-13-19(24)23(21-18)17-11-7-8-15(2)14-17/h7-8,11,14,16H,3-6,9-10,12-13H2,1-2H3.
What are the key properties of N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 341.45 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-ethyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 24616917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).