6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide

C14H15BrN4O — CID 79207097

IUPAC6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(C)c2cccc(Br)c2)nn1
InChIInChI=1S/C14H15BrN4O/c1-9(10-4-3-5-11(15)8-10)17-13-7-6-12(18-19-13)14(20)16-2/h3-9H,1-2H3,(H,16,20)(H,17,19)
InChIKeyCPUNYLFZZGLIBC-UHFFFAOYSA-N
MW335.21 g/mol
LogP2.77
Rot. Bonds4

About 6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide

6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 79207097) has the molecular formula C14H15BrN4O and a molecular weight of 335.21 g/mol. Its IUPAC name is 6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide
PubChem CID79207097
Molecular FormulaC14H15BrN4O
Molecular Weight335.21 g/mol
Exact Mass334.04
IUPAC Name6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(C)c2cccc(Br)c2)nn1
InChIInChI=1S/C14H15BrN4O/c1-9(10-4-3-5-11(15)8-10)17-13-7-6-12(18-19-13)14(20)16-2/h3-9H,1-2H3,(H,16,20)(H,17,19)
InChIKeyCPUNYLFZZGLIBC-UHFFFAOYSA-N
XLogP2.77
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.21
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(3-bromophenyl)ethylamino]pyridazine-3-carboxamide
CID 79099168
N-methyl-6-(1-pyridin-2-ylethylamino)pyridazine-3-carboxamide
CID 79005908
3-amino-2-[1-(3-bromophenyl)ethylamino]benzamide
CID 115934504
N-(2-methoxyethyl)-6-(1-phenylethylamino)pyridazine-3-carboxamide
CID 109113913
6-[3-chloro-4-(1-phenylethylamino)anilino]-N-methylpyridazine-3-carboxamide
CID 167773043
N-[1-(3-bromophenyl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 112726128
2-[1-(3-bromophenyl)ethylamino]-5-chloropyridine-4-carboxylic acid
CID 114919409
4-N-[1-(3-bromophenyl)ethyl]-6-N-methylpyrimidine-4,6-diamine
CID 80808089
N-[1-(3-bromophenyl)ethyl]pyridin-2-amine
CID 60969828
N-methyl-6-(6-methylheptan-2-ylamino)pyridazine-3-carboxamide
CID 79207194
6-(3-bromoanilino)-N-(2-methylpropyl)pyridazine-3-carboxamide
CID 109111313
6-[1-(3-fluoro-4-methylphenyl)ethylamino]-N-phenylpyridazine-3-carboxamide
CID 133350267

Frequently Asked Questions

What is the IUPAC name of 6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide (CID 79207097) is 6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NC(C)c2cccc(Br)c2)nn1.
What is the InChIKey of 6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is CPUNYLFZZGLIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4O/c1-9(10-4-3-5-11(15)8-10)17-13-7-6-12(18-19-13)14(20)16-2/h3-9H,1-2H3,(H,16,20)(H,17,19).
What are the key properties of 6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide?
6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 335.21 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(3-bromophenyl)ethylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 79207097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).