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

C21H22N4O3 — CID 60549121

IUPACN-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)N(C)Cc3cccc(C(N)=O)c3)CCC2=O)c1
InChIInChI=1S/C21H22N4O3/c1-14-5-3-8-17(11-14)25-19(26)10-9-18(23-25)21(28)24(2)13-15-6-4-7-16(12-15)20(22)27/h3-8,11-12H,9-10,13H2,1-2H3,(H2,22,27)
InChIKeyPMHGBJQTVWRLFX-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.24
Rot. Bonds5

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

N-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 60549121) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is N-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID60549121
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC NameN-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCc1cccc(N2N=C(C(=O)N(C)Cc3cccc(C(N)=O)c3)CCC2=O)c1
InChIInChI=1S/C21H22N4O3/c1-14-5-3-8-17(11-14)25-19(26)10-9-18(23-25)21(28)24(2)13-15-6-4-7-16(12-15)20(22)27/h3-8,11-12H,9-10,13H2,1-2H3,(H2,22,27)
InChIKeyPMHGBJQTVWRLFX-UHFFFAOYSA-N
XLogP2.24
TPSA96.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2,6-dimethylanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 9437564
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 9409703
1-(3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]-6-oxo-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 60540374
N-[4-(2-amino-2-oxoethyl)phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 39280398
N-[4-[benzyl(methyl)sulfamoyl]phenyl]-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 31289877
N-[(3-methoxyphenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 51262026
N-[(3-cyanophenyl)methyl]-N,1-dimethyl-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 53498773
1-(3-methylphenyl)-6-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-4,5-dihydropyridazine-3-carboxamide
CID 135962290
6-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-2-(3-methylphenyl)-4,5-dihydropyridazin-3-one
CID 945249
N-(1,3-benzodioxol-5-yl)-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 4880571
N-[(3-aminophenyl)methyl]-N,3-dimethylbenzamide
CID 43457819
3-[(dimethylamino)methyl]benzamide;hydrochloride
CID 68818367

Frequently Asked Questions

What is the IUPAC name of N-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of N-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 60549121) is N-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for N-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for N-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is Cc1cccc(N2N=C(C(=O)N(C)Cc3cccc(C(N)=O)c3)CCC2=O)c1.
What is the InChIKey of N-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is PMHGBJQTVWRLFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-5-3-8-17(11-14)25-19(26)10-9-18(23-25)21(28)24(2)13-15-6-4-7-16(12-15)20(22)27/h3-8,11-12H,9-10,13H2,1-2H3,(H2,22,27).
What are the key properties of N-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide?
N-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-carbamoylphenyl)methyl]-N-methyl-1-(3-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 60549121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).