3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide

C25H23N5O4 — CID 20772737

IUPAC3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)[nH]n(-c3ccccc3)c2=O)c1O
InChIInChI=1S/C25H23N5O4/c1-29(2)24(33)18-14-9-15-19(22(18)31)27-21-20(26-16-10-5-3-6-11-16)23(32)28-30(25(21)34)17-12-7-4-8-13-17/h3-15,26-27,31H,1-2H3,(H,28,32)
InChIKeyYDIUJDLTNZTFTP-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.42
Rot. Bonds6

About 3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide

3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide (PubChem CID 20772737) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is 3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
PubChem CID20772737
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC Name3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)[nH]n(-c3ccccc3)c2=O)c1O
InChIInChI=1S/C25H23N5O4/c1-29(2)24(33)18-14-9-15-19(22(18)31)27-21-20(26-16-10-5-3-6-11-16)23(32)28-30(25(21)34)17-12-7-4-8-13-17/h3-15,26-27,31H,1-2H3,(H,28,32)
InChIKeyYDIUJDLTNZTFTP-UHFFFAOYSA-N
XLogP3.42
TPSA119.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[5-(benzylamino)-1,2-dimethyl-3,6-dioxopyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 142262465
3-[[2-benzyl-3,6-dioxo-5-(1-phenylpropylamino)-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20772629
3-[[2-cyclohexyl-5-(cyclopentylamino)-3,6-dioxo-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20772656
ethane;3-[[5-(ethylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide;propane
CID 142262584
2-hydroxy-N,N-dimethyl-3-[[1-methyl-3,6-dioxo-2-phenyl-5-[[(1R)-1-phenylpropyl]amino]pyridazin-4-yl]amino]benzamide
CID 59996766
2-hydroxy-N,N-dimethyl-3-[[2-methyl-5-[[3-methyl-1-oxo-1-(propan-2-ylamino)butan-2-yl]amino]-3,6-dioxo-1H-pyridazin-4-yl]amino]benzamide
CID 20772554
2-hydroxy-N,N-dimethyl-3-[[2-methyl-3,6-dioxo-5-(1-phenylmethoxybutan-2-ylamino)-1H-pyridazin-4-yl]amino]benzamide
CID 20772715
2-hydroxy-3-[[4-(1-methoxybutan-2-ylamino)-2-methyl-3,6-dioxo-1H-pyridazin-5-yl]amino]-N,N-dimethylbenzamide
CID 20772558
3-[[5-(cycloheptylamino)-3,6-dioxo-1,2-dihydropyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20772773
3-[[2-benzyl-3,6-dioxo-5-[[(1R)-2,2,2-trifluoro-1-thiophen-2-ylethyl]amino]-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 59996846
3-[[2-ethyl-3,6-dioxo-5-(1-thiophen-2-ylpropylamino)-1H-pyridazin-4-yl]amino]-2-hydroxy-N,N-dimethylbenzamide
CID 20772660
3-(chloroamino)-2-hydroxy-N,N-dimethylbenzamide
CID 88939329

Frequently Asked Questions

What is the IUPAC name of 3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide?
The IUPAC name of 3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide (CID 20772737) is 3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide?
The canonical SMILES for 3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide is CN(C)C(=O)c1cccc(Nc2c(Nc3ccccc3)c(=O)[nH]n(-c3ccccc3)c2=O)c1O.
What is the InChIKey of 3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide?
The InChIKey is YDIUJDLTNZTFTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-29(2)24(33)18-14-9-15-19(22(18)31)27-21-20(26-16-10-5-3-6-11-16)23(32)28-30(25(21)34)17-12-7-4-8-13-17/h3-15,26-27,31H,1-2H3,(H,28,32).
What are the key properties of 3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide?
3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide has a molecular weight of 457.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-anilino-3,6-dioxo-2-phenyl-1H-pyridazin-4-yl)amino]-2-hydroxy-N,N-dimethylbenzamide is sourced from PubChem (CID 20772737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).