N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide

C19H18ClN5O — CID 109128635

IUPACN-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(Nc2ccc(C(=O)Nc3ccccc3Cl)nn2)cc1
InChIInChI=1S/C19H18ClN5O/c1-25(2)14-9-7-13(8-10-14)21-18-12-11-17(23-24-18)19(26)22-16-6-4-3-5-15(16)20/h3-12H,1-2H3,(H,21,24)(H,22,26)
InChIKeyAHQUUGGXVHORBF-UHFFFAOYSA-N
MW367.84 g/mol
LogP4.19
Rot. Bonds5

About N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide

N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide (PubChem CID 109128635) has the molecular formula C19H18ClN5O and a molecular weight of 367.84 g/mol. Its IUPAC name is N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
PubChem CID109128635
Molecular FormulaC19H18ClN5O
Molecular Weight367.84 g/mol
Exact Mass367.12
IUPAC NameN-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
SMILESCN(C)c1ccc(Nc2ccc(C(=O)Nc3ccccc3Cl)nn2)cc1
InChIInChI=1S/C19H18ClN5O/c1-25(2)14-9-7-13(8-10-14)21-18-12-11-17(23-24-18)19(26)22-16-6-4-3-5-15(16)20/h3-12H,1-2H3,(H,21,24)(H,22,26)
InChIKeyAHQUUGGXVHORBF-UHFFFAOYSA-N
XLogP4.19
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 54.19
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

6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109128614
methyl 4-[[6-[(2-chlorophenyl)carbamoyl]pyridazin-3-yl]amino]benzoate
CID 109128634
6-[4-(dimethylamino)anilino]-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109127754
6-[4-(dimethylamino)anilino]-N-(4-methoxyphenyl)pyridazine-3-carboxamide
CID 109129399
N-[4-(dimethylamino)phenyl]-6-(4-ethylanilino)pyridazine-3-carboxamide
CID 109127978
N-(2-chlorophenyl)-6-(3-fluoroanilino)pyridazine-3-carboxamide
CID 109128637
N-(3-chloro-2-methylphenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128462
N-(3,4-dimethoxyphenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109129724
6-(3-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridazine-3-carboxamide
CID 109129868
6-(4-acetamidoanilino)-N-(2-ethylphenyl)pyridazine-3-carboxamide
CID 109127942
N-[6-[4-(dimethylamino)anilino]pyridazin-3-yl]benzamide
CID 113049582
N-cyclopentyl-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide
CID 109112406

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide (CID 109128635) is N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide is CN(C)c1ccc(Nc2ccc(C(=O)Nc3ccccc3Cl)nn2)cc1.
What is the InChIKey of N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
The InChIKey is AHQUUGGXVHORBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O/c1-25(2)14-9-7-13(8-10-14)21-18-12-11-17(23-24-18)19(26)22-16-6-4-3-5-15(16)20/h3-12H,1-2H3,(H,21,24)(H,22,26).
What are the key properties of N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide?
N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide has a molecular weight of 367.84 g/mol, XLogP of 4.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-6-[4-(dimethylamino)anilino]pyridazine-3-carboxamide is sourced from PubChem (CID 109128635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).