1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

C21H22N4O3 — CID 55741614

IUPAC1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1
InChIInChI=1S/C21H22N4O3/c1-24(2)21(28)16-9-6-10-17(13-16)22-20(27)18-11-12-19(26)25(23-18)14-15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3,(H,22,27)
InChIKeyIZODTWFNSJBXQN-UHFFFAOYSA-N
MW378.43 g/mol
LogP2.51
Rot. Bonds5

About 1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide

1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55741614) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
PubChem CID55741614
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
SMILESCN(C)C(=O)c1cccc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1
InChIInChI=1S/C21H22N4O3/c1-24(2)21(28)16-9-6-10-17(13-16)22-20(27)18-11-12-19(26)25(23-18)14-15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3,(H,22,27)
InChIKeyIZODTWFNSJBXQN-UHFFFAOYSA-N
XLogP2.51
TPSA82.08 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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55741600
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55777377
N-[3-(3-ethoxypropylcarbamoyl)phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55802024
N-[[3-[[2-(dimethylamino)acetyl]amino]phenyl]methyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55800342
1-benzyl-6-oxo-N-[3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]-4,5-dihydropyridazine-3-carboxamide
CID 55886086
tert-butyl N-[5-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-fluorophenyl]carbamate
CID 55801992
1-benzyl-N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55758498
2-[(1-benzyl-6-oxo-4,5-dihydropyridazine-3-carbonyl)amino]-2-cyclopropylacetic acid
CID 119213268
1-benzyl-6-oxo-N-(2-phenyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydropyridazine-3-carboxamide
CID 55758251
N,N-dimethyl-3-[(4-phenylbenzoyl)amino]benzamide
CID 17231735
1-benzyl-6-oxo-N'-(1H-pyrrole-2-carbonyl)-4,5-dihydropyridazine-3-carbohydrazide
CID 78879861
N-[2-chloro-5-[methyl(propan-2-yl)carbamoyl]phenyl]-1-[(4-fluorophenyl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 60617618

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide (CID 55741614) is 1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is CN(C)C(=O)c1cccc(NC(=O)C2=NN(Cc3ccccc3)C(=O)CC2)c1.
What is the InChIKey of 1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is IZODTWFNSJBXQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-24(2)21(28)16-9-6-10-17(13-16)22-20(27)18-11-12-19(26)25(23-18)14-15-7-4-3-5-8-15/h3-10,13H,11-12,14H2,1-2H3,(H,22,27).
What are the key properties of 1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide?
1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[3-(dimethylcarbamoyl)phenyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55741614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).