6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide

C21H22BrN5O — CID 18789581

IUPAC6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide
SMILESCCN(Cc1cc(Br)ccc1NCc1ccccc1)c1ccc(C(N)=O)nn1
InChIInChI=1S/C21H22BrN5O/c1-2-27(20-11-10-19(21(23)28)25-26-20)14-16-12-17(22)8-9-18(16)24-13-15-6-4-3-5-7-15/h3-12,24H,2,13-14H2,1H3,(H2,23,28)
InChIKeyMEZUCLIMXWDRRA-UHFFFAOYSA-N
MW440.35 g/mol
LogP3.98
Rot. Bonds8

About 6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide

6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide (PubChem CID 18789581) has the molecular formula C21H22BrN5O and a molecular weight of 440.35 g/mol. Its IUPAC name is 6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide
PubChem CID18789581
Molecular FormulaC21H22BrN5O
Molecular Weight440.35 g/mol
Exact Mass439.10
IUPAC Name6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide
SMILESCCN(Cc1cc(Br)ccc1NCc1ccccc1)c1ccc(C(N)=O)nn1
InChIInChI=1S/C21H22BrN5O/c1-2-27(20-11-10-19(21(23)28)25-26-20)14-16-12-17(22)8-9-18(16)24-13-15-6-4-3-5-7-15/h3-12,24H,2,13-14H2,1H3,(H2,23,28)
InChIKeyMEZUCLIMXWDRRA-UHFFFAOYSA-N
XLogP3.98
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.35
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(5-bromo-2-propoxyphenyl)methyl-ethylamino]pyridazine-3-carboxylic acid
CID 22622530
methyl 6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]pyridine-3-carboxylate
CID 22622546
6-[benzyl(ethyl)amino]-N-pentylpyridazine-3-carboxamide
CID 109120520
6-[benzyl(ethyl)amino]-N-(3-chlorophenyl)pyridazine-3-carboxamide
CID 109120537
6-[benzyl(ethyl)amino]-N-(3-methoxypropyl)pyridazine-3-carboxamide
CID 109114288
6-(dibenzylamino)pyridazine-3-carboxylic acid
CID 127018558
4-[(4-bromo-2-ethylanilino)methyl]-N-methylbenzamide
CID 81287721
5-amino-6-(4-bromo-2-ethylanilino)pyridine-2-carboxamide
CID 114407262
6-[methyl-[(2S)-1-phenylbutan-2-yl]amino]pyridazine-3-carboxamide
CID 97325450
6-[2-(4-bromophenyl)ethyl-methylamino]pyridazine-3-carboxamide
CID 122143450
2-[(4-bromo-2-methylanilino)methyl]benzamide
CID 28572427
6-[(5-bromo-2-phenylmethoxyphenyl)methyl-ethylamino]-N-propylsulfonylpyridine-3-carboxamide
CID 22105639

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide (CID 18789581) is 6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide is CCN(Cc1cc(Br)ccc1NCc1ccccc1)c1ccc(C(N)=O)nn1.
What is the InChIKey of 6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide?
The InChIKey is MEZUCLIMXWDRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22BrN5O/c1-2-27(20-11-10-19(21(23)28)25-26-20)14-16-12-17(22)8-9-18(16)24-13-15-6-4-3-5-7-15/h3-12,24H,2,13-14H2,1H3,(H2,23,28).
What are the key properties of 6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide?
6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide has a molecular weight of 440.35 g/mol, XLogP of 3.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2-(benzylamino)-5-bromophenyl]methyl-ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 18789581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).