N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide

C19H19N5O — CID 113049582

IUPACN-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)c3ccccc3)nn2)cc1
InChIInChI=1S/C19H19N5O/c1-24(2)16-10-8-15(9-11-16)20-17-12-13-18(23-22-17)21-19(25)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,20,22)(H,21,23,25)
InChIKeyLELSEHINNFPAJJ-UHFFFAOYSA-N
MW333.40 g/mol
LogP3.54
Rot. Bonds5

About N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide

N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide (PubChem CID 113049582) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide.

Molecular Properties

Compound NameN-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide
PubChem CID113049582
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC NameN-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide
SMILESCN(C)c1ccc(Nc2ccc(NC(=O)c3ccccc3)nn2)cc1
InChIInChI=1S/C19H19N5O/c1-24(2)16-10-8-15(9-11-16)20-17-12-13-18(23-22-17)21-19(25)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,20,22)(H,21,23,25)
InChIKeyLELSEHINNFPAJJ-UHFFFAOYSA-N
XLogP3.54
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]-4-methoxybenzamide
CID 113049591
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113049573
N-[6-(3,4-dimethoxyanilino)pyridazin-3-yl]benzamide
CID 113048865
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109128635
tert-butyl N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]carbamate
CID 113049625
1-cyclopropyl-3-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]urea
CID 113049629
N-[6-[4-(4-methylpiperidin-1-yl)anilino]pyridazin-3-yl]benzamide
CID 113049793
N-[6-(2-methylanilino)pyridazin-3-yl]benzamide
CID 113045593
[4-[4-(dimethylamino)anilino]phenyl]-phenylmethanone
CID 11738595
6-[4-(dimethylamino)anilino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127754
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-4-fluorobenzamide
CID 113049285

Frequently Asked Questions

What is the IUPAC name of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide?
The IUPAC name of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide (CID 113049582) is N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide.
What is the SMILES notation for N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide?
The canonical SMILES for N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide is CN(C)c1ccc(Nc2ccc(NC(=O)c3ccccc3)nn2)cc1.
What is the InChIKey of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide?
The InChIKey is LELSEHINNFPAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c1-24(2)16-10-8-15(9-11-16)20-17-12-13-18(23-22-17)21-19(25)14-6-4-3-5-7-14/h3-13H,1-2H3,(H,20,22)(H,21,23,25).
What are the key properties of N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide?
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide has a molecular weight of 333.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide is sourced from PubChem (CID 113049582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).