6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide

C18H12BrN5O — CID 109130126

IUPAC6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(Nc2ccccc2Br)nn1
InChIInChI=1S/C18H12BrN5O/c19-13-6-2-4-8-15(13)21-17-10-9-16(23-24-17)18(25)22-14-7-3-1-5-12(14)11-20/h1-10H,(H,21,24)(H,22,25)
InChIKeyTZTUPUSLUIZBKA-UHFFFAOYSA-N
MW394.23 g/mol
LogP4.11
Rot. Bonds4

About 6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide

6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide (PubChem CID 109130126) has the molecular formula C18H12BrN5O and a molecular weight of 394.23 g/mol. Its IUPAC name is 6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide
PubChem CID109130126
Molecular FormulaC18H12BrN5O
Molecular Weight394.23 g/mol
Exact Mass393.02
IUPAC Name6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide
SMILESN#Cc1ccccc1NC(=O)c1ccc(Nc2ccccc2Br)nn1
InChIInChI=1S/C18H12BrN5O/c19-13-6-2-4-8-15(13)21-17-10-9-16(23-24-17)18(25)22-14-7-3-1-5-12(14)11-20/h1-10H,(H,21,24)(H,22,25)
InChIKeyTZTUPUSLUIZBKA-UHFFFAOYSA-N
XLogP4.11
TPSA90.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.23
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyanophenyl)-6-(2-ethylanilino)pyridazine-3-carboxamide
CID 109127922
N-(2-cyanophenyl)-6-(2,3-dimethylanilino)pyridazine-3-carboxamide
CID 109127858
N-(2-cyanophenyl)-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109130305
5-(2-bromoanilino)-N-(2-cyanophenyl)pyrazine-2-carboxamide
CID 109294390
N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130365
N-(2-cyanophenyl)-6-(4-fluoroanilino)pyridazine-3-carboxamide
CID 109128508
N-(2-tert-butylphenyl)-6-(2-cyanoanilino)pyridazine-3-carboxamide
CID 109128317
6-(2-cyanoanilino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109130309
N-(2-bromophenyl)-6-(3-cyanoanilino)pyridazine-3-carboxamide
CID 109130131
6-(2-cyanoanilino)-N-(2,4-dimethylphenyl)pyridazine-3-carboxamide
CID 109127570
N-(2-cyanophenyl)-6-(2-methoxy-5-methylanilino)pyridazine-3-carboxamide
CID 109129563
6-amino-N-(2-cyanophenyl)pyridazine-3-carboxamide
CID 55043296

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide (CID 109130126) is 6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide is N#Cc1ccccc1NC(=O)c1ccc(Nc2ccccc2Br)nn1.
What is the InChIKey of 6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide?
The InChIKey is TZTUPUSLUIZBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN5O/c19-13-6-2-4-8-15(13)21-17-10-9-16(23-24-17)18(25)22-14-7-3-1-5-12(14)11-20/h1-10H,(H,21,24)(H,22,25).
What are the key properties of 6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide?
6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide has a molecular weight of 394.23 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoanilino)-N-(2-cyanophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109130126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).