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

C19H17BrN4O — CID 109121707

IUPAC6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2ccccc2Br)nn1
InChIInChI=1S/C19H17BrN4O/c20-15-8-4-5-9-16(15)22-18-11-10-17(23-24-18)19(25)21-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,25)(H,22,24)
InChIKeyHWHRGPZHKYEIKM-UHFFFAOYSA-N
MW397.28 g/mol
LogP3.96
Rot. Bonds6

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

6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide (PubChem CID 109121707) has the molecular formula C19H17BrN4O and a molecular weight of 397.28 g/mol. Its IUPAC name is 6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
PubChem CID109121707
Molecular FormulaC19H17BrN4O
Molecular Weight397.28 g/mol
Exact Mass396.06
IUPAC Name6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2ccccc2Br)nn1
InChIInChI=1S/C19H17BrN4O/c20-15-8-4-5-9-16(15)22-18-11-10-17(23-24-18)19(25)21-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,25)(H,22,24)
InChIKeyHWHRGPZHKYEIKM-UHFFFAOYSA-N
XLogP3.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.28
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide 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

6-(2-bromoanilino)-N-(3-methylbutyl)pyridazine-3-carboxamide
CID 109125333
6-(2-bromoanilino)-N-prop-2-enylpyridazine-3-carboxamide
CID 109110542
6-(4-acetamidoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121699
2-(2-bromoanilino)-N-(2-phenylethyl)pyridine-4-carboxamide
CID 109172229
6-(2-bromoanilino)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120909
N-(2-phenylethyl)-6-(propylamino)pyridazine-3-carboxamide
CID 62167760
N-(2-phenylethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109121694
N-[2-(4-methoxyphenyl)ethyl]-6-(2-methylanilino)pyridazine-3-carboxamide
CID 109122525
methyl 2-[[6-[2-(4-fluorophenyl)ethylcarbamoyl]pyridazin-3-yl]amino]benzoate
CID 109122187
6-[4-(diethylamino)anilino]-N-(2-phenylethyl)pyridazine-3-carboxamide
CID 109121704
6-(2,6-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridazine-3-carboxamide
CID 109122201
N-(3-phenylpropyl)-6-(3-phenylpropylamino)pyridazine-3-carboxamide
CID 109124516

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide (CID 109121707) is 6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide is O=C(NCCc1ccccc1)c1ccc(Nc2ccccc2Br)nn1.
What is the InChIKey of 6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide?
The InChIKey is HWHRGPZHKYEIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4O/c20-15-8-4-5-9-16(15)22-18-11-10-17(23-24-18)19(25)21-13-12-14-6-2-1-3-7-14/h1-11H,12-13H2,(H,21,25)(H,22,24).
What are the key properties of 6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide?
6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide has a molecular weight of 397.28 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromoanilino)-N-(2-phenylethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109121707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).