N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide

C17H14BrN5O — CID 109121053

IUPACN-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccc(NCc2cccnc2)nn1
InChIInChI=1S/C17H14BrN5O/c18-13-5-1-2-6-14(13)21-17(24)15-7-8-16(23-22-15)20-11-12-4-3-9-19-10-12/h1-10H,11H2,(H,20,23)(H,21,24)
InChIKeyWYQHLVJCBMGUJT-UHFFFAOYSA-N
MW384.24 g/mol
LogP3.50
Rot. Bonds5

About N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide

N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109121053) has the molecular formula C17H14BrN5O and a molecular weight of 384.24 g/mol. Its IUPAC name is N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109121053
Molecular FormulaC17H14BrN5O
Molecular Weight384.24 g/mol
Exact Mass383.04
IUPAC NameN-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
SMILESO=C(Nc1ccccc1Br)c1ccc(NCc2cccnc2)nn1
InChIInChI=1S/C17H14BrN5O/c18-13-5-1-2-6-14(13)21-17(24)15-7-8-16(23-22-15)20-11-12-4-3-9-19-10-12/h1-10H,11H2,(H,20,23)(H,21,24)
InChIKeyWYQHLVJCBMGUJT-UHFFFAOYSA-N
XLogP3.50
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.24
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121006
N-(4-bromo-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121056
6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109121081
N-(2-bromophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171963
N-(2,4-difluorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121063
N-(5-chloro-2-methylphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121014
N-(3,5-dichlorophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121070
6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 79005962
6-(pyridin-3-ylmethylamino)-N-(2,4,6-trimethylphenyl)pyridazine-3-carboxamide
CID 109121003
N-propan-2-yl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109109633
N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121032
N-cyclohexyl-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109113007

Frequently Asked Questions

What is the IUPAC name of N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide (CID 109121053) is N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide is O=C(Nc1ccccc1Br)c1ccc(NCc2cccnc2)nn1.
What is the InChIKey of N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is WYQHLVJCBMGUJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN5O/c18-13-5-1-2-6-14(13)21-17(24)15-7-8-16(23-22-15)20-11-12-4-3-9-19-10-12/h1-10H,11H2,(H,20,23)(H,21,24).
What are the key properties of N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide?
N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 384.24 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromophenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109121053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).