6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide

C12H13BrN4OS — CID 103718403

IUPAC6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCc2ccc(Br)s2)nn1
InChIInChI=1S/C12H13BrN4OS/c1-14-12(18)9-3-5-11(17-16-9)15-7-6-8-2-4-10(13)19-8/h2-5H,6-7H2,1H3,(H,14,18)(H,15,17)
InChIKeyGVPWRGOSCNSVOZ-UHFFFAOYSA-N
MW341.23 g/mol
LogP2.31
Rot. Bonds5

About 6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide

6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide (PubChem CID 103718403) has the molecular formula C12H13BrN4OS and a molecular weight of 341.23 g/mol. Its IUPAC name is 6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide
PubChem CID103718403
Molecular FormulaC12H13BrN4OS
Molecular Weight341.23 g/mol
Exact Mass340.00
IUPAC Name6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCCc2ccc(Br)s2)nn1
InChIInChI=1S/C12H13BrN4OS/c1-14-12(18)9-3-5-11(17-16-9)15-7-6-8-2-4-10(13)19-8/h2-5H,6-7H2,1H3,(H,14,18)(H,15,17)
InChIKeyGVPWRGOSCNSVOZ-UHFFFAOYSA-N
XLogP2.31
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.23
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[2-(2-methylpyrazol-3-yl)ethylamino]pyridazine-3-carboxamide
CID 104696061
6-(4-hydroxybutylamino)-N-methylpyridazine-3-carboxamide
CID 106842680
6-[2-(4-methoxyphenyl)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79005945
6-[[3-(tert-butylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 115669069
6-[2-(2-methoxyethoxy)ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207000
6-[(5-hydroxy-4-methylpentyl)amino]-N-methylpyridazine-3-carboxamide
CID 103858516
3-amino-5-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylthiophene-2-carboxamide
CID 106045453
6-[2-[ethyl(methyl)amino]ethylamino]-N-methylpyridazine-3-carboxamide
CID 79207290
6-[4-(dimethylamino)butylamino]-N-methylpyridazine-3-carboxamide
CID 79207291
6-[[3-(diethylamino)-3-oxopropyl]amino]-N-methylpyridazine-3-carboxamide
CID 79207468
6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 115669027
N-methyl-6-[2-[methyl(propan-2-yl)amino]ethylamino]pyridazine-3-carboxamide
CID 79207474

Frequently Asked Questions

What is the IUPAC name of 6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide?
The IUPAC name of 6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide (CID 103718403) is 6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide?
The canonical SMILES for 6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide is CNC(=O)c1ccc(NCCc2ccc(Br)s2)nn1.
What is the InChIKey of 6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide?
The InChIKey is GVPWRGOSCNSVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4OS/c1-14-12(18)9-3-5-11(17-16-9)15-7-6-8-2-4-10(13)19-8/h2-5H,6-7H2,1H3,(H,14,18)(H,15,17).
What are the key properties of 6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide?
6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide has a molecular weight of 341.23 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(5-bromothiophen-2-yl)ethylamino]-N-methylpyridazine-3-carboxamide is sourced from PubChem (CID 103718403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).