N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

C23H26N4O3 — CID 9437564

IUPACN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)CCC2=O)c1
InChIInChI=1S/C23H26N4O3/c1-15-7-5-10-18(13-15)27-21(29)12-11-19(25-27)23(30)26(4)14-20(28)24-22-16(2)8-6-9-17(22)3/h5-10,13H,11-12,14H2,1-4H3,(H,24,28)
InChIKeyFZJIREYBLNSOEY-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.19
Rot. Bonds5

About N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 9437564) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID9437564
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)CCC2=O)c1
InChIInChI=1S/C23H26N4O3/c1-15-7-5-10-18(13-15)27-21(29)12-11-19(25-27)23(30)26(4)14-20(28)24-22-16(2)8-6-9-17(22)3/h5-10,13H,11-12,14H2,1-4H3,(H,24,28)
InChIKeyFZJIREYBLNSOEY-UHFFFAOYSA-N
XLogP3.19
TPSA82.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 9409703
N-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60549121
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 39280398
6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 945249
N-(4-cyanophenyl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 26698462
N'-[2-(1-adamantyl)acetyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carbohydrazide
CID 26854717
1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 60540374
1-(2,5-dimethylphenyl)-N-[2-(2-methylanilino)-2-oxoethyl]-6-oxo-N-propyl-4,5-dihydropyridazine-3-carboxamide
CID 24980012
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methylnaphthalene-2-carboxamide
CID 8500886
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 9011392
1-(3-methylphenyl)-6-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 26955609
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 24818370

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 9437564) is N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1cccc(N2N=C(C(=O)N(C)CC(=O)Nc3c(C)cccc3C)CCC2=O)c1.
What is the InChIKey of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is FZJIREYBLNSOEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15-7-5-10-18(13-15)27-21(29)12-11-19(25-27)23(30)26(4)14-20(28)24-22-16(2)8-6-9-17(22)3/h5-10,13H,11-12,14H2,1-4H3,(H,24,28).
What are the key properties of N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 9437564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).