N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

C18H16BrN5O — CID 109120767

IUPACN-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCc3ccccn3)nn2)c(Br)c1
InChIInChI=1S/C18H16BrN5O/c1-12-5-6-15(14(19)10-12)22-18(25)16-7-8-17(24-23-16)21-11-13-4-2-3-9-20-13/h2-10H,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyKCWAUCYUIQHJRT-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.81
Rot. Bonds5

About N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide

N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (PubChem CID 109120767) has the molecular formula C18H16BrN5O and a molecular weight of 398.26 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
PubChem CID109120767
Molecular FormulaC18H16BrN5O
Molecular Weight398.26 g/mol
Exact Mass397.05
IUPAC NameN-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCc3ccccn3)nn2)c(Br)c1
InChIInChI=1S/C18H16BrN5O/c1-12-5-6-15(14(19)10-12)22-18(25)16-7-8-17(24-23-16)21-11-13-4-2-3-9-20-13/h2-10H,11H2,1H3,(H,21,24)(H,22,25)
InChIKeyKCWAUCYUIQHJRT-UHFFFAOYSA-N
XLogP3.81
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120780
N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115295
N-(4-chloro-2-methoxy-5-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120786
N-(3,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120782
N-(5-chloro-2-methoxyphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120732
N-(2-bromophenyl)-2-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109370811
N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115922
N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120714
N-(2,4-dimethylphenyl)-6-[(2-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118046
N-(3-fluorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120764
4-(2-bromo-4-methylanilino)-N-(pyridin-2-ylmethyl)pyridine-2-carboxamide
CID 109212781
N-butyl-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109110804

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide (CID 109120767) is N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(NCc3ccccn3)nn2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
The InChIKey is KCWAUCYUIQHJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O/c1-12-5-6-15(14(19)10-12)22-18(25)16-7-8-17(24-23-16)21-11-13-4-2-3-9-20-13/h2-10H,11H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide?
N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide has a molecular weight of 398.26 g/mol, XLogP of 3.81, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109120767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).