N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide

C17H22BrN5O — CID 109115922

IUPACN-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCCCN(C)C)nn2)c(Br)c1
InChIInChI=1S/C17H22BrN5O/c1-12-5-6-14(13(18)11-12)20-17(24)15-7-8-16(22-21-15)19-9-4-10-23(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyCKUWHPQEJJOIIX-UHFFFAOYSA-N
MW392.30 g/mol
LogP3.16
Rot. Bonds7

About N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide

N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide (PubChem CID 109115922) has the molecular formula C17H22BrN5O and a molecular weight of 392.30 g/mol. Its IUPAC name is N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
PubChem CID109115922
Molecular FormulaC17H22BrN5O
Molecular Weight392.30 g/mol
Exact Mass391.10
IUPAC NameN-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NCCCN(C)C)nn2)c(Br)c1
InChIInChI=1S/C17H22BrN5O/c1-12-5-6-14(13(18)11-12)20-17(24)15-7-8-16(22-21-15)19-9-4-10-23(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,19,22)(H,20,24)
InChIKeyCKUWHPQEJJOIIX-UHFFFAOYSA-N
XLogP3.16
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.30
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-methylphenyl)-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115295
6-(2-bromo-4-methylanilino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109115475
N-[3-(dimethylamino)propyl]-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115782
N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120767
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
6-[3-(dimethylamino)propylamino]-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111167
N-(4-cyanophenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide
CID 109115946
methyl 6-[3-(dimethylamino)propylamino]pyridazine-3-carboxylate
CID 60792902
N-[2-(dimethylamino)ethyl]-6-(2,4-dimethylanilino)pyridazine-3-carboxamide
CID 109115407
N-[2-(dimethylamino)ethyl]-6-[2-(dimethylamino)ethylamino]pyridazine-3-carboxamide
CID 109115146
N-[6-[3-(dimethylamino)propylamino]pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113040148
6-(butylamino)-N-[2-(dimethylamino)ethyl]pyridazine-3-carboxamide
CID 109110589

Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide (CID 109115922) is N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(NCCCN(C)C)nn2)c(Br)c1.
What is the InChIKey of N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide?
The InChIKey is CKUWHPQEJJOIIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrN5O/c1-12-5-6-14(13(18)11-12)20-17(24)15-7-8-16(22-21-15)19-9-4-10-23(2)3/h5-8,11H,4,9-10H2,1-3H3,(H,19,22)(H,20,24).
What are the key properties of N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide?
N-(2-bromo-4-methylphenyl)-6-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide has a molecular weight of 392.30 g/mol, XLogP of 3.16, 7 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-[3-(dimethylamino)propylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109115922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).