2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide

C18H16BrN5O — CID 113042022

IUPAC2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
SMILESO=C(Cc1ccccc1Br)Nc1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C18H16BrN5O/c19-15-7-2-1-5-13(15)11-18(25)22-17-9-8-16(23-24-17)21-12-14-6-3-4-10-20-14/h1-10H,11-12H2,(H,21,23)(H,22,24,25)
InChIKeyWBHJDBDWZVPNPJ-UHFFFAOYSA-N
MW398.26 g/mol
LogP3.43
Rot. Bonds6

About 2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide

2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide (PubChem CID 113042022) has the molecular formula C18H16BrN5O and a molecular weight of 398.26 g/mol. Its IUPAC name is 2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide.

Molecular Properties

Compound Name2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
PubChem CID113042022
Molecular FormulaC18H16BrN5O
Molecular Weight398.26 g/mol
Exact Mass397.05
IUPAC Name2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
SMILESO=C(Cc1ccccc1Br)Nc1ccc(NCc2ccccn2)nn1
InChIInChI=1S/C18H16BrN5O/c19-15-7-2-1-5-13(15)11-18(25)22-17-9-8-16(23-24-17)21-12-14-6-3-4-10-20-14/h1-10H,11-12H2,(H,21,23)(H,22,24,25)
InChIKeyWBHJDBDWZVPNPJ-UHFFFAOYSA-N
XLogP3.43
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.26
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]pentanamide
CID 113041958
2-phenoxy-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide
CID 113041994
2-(2-bromophenyl)-N-[6-(tert-butylamino)pyridazin-3-yl]acetamide
CID 113044304
4-chloro-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]benzamide
CID 113041999
N-(2-bromo-4-methylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120767
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-1,3-benzodioxole-5-carboxamide
CID 113042002
2-[[2-(2-bromophenyl)acetyl]amino]pyridine-4-carboxylic acid
CID 84610177
N-(3,5-dichlorophenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120782
3-bromo-2-[(2-pyridin-2-ylacetyl)amino]benzoic acid
CID 63112491
N-[5-(benzylamino)-2-pyridinyl]-2-(2-bromophenyl)acetamide
CID 113026424
[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]-pyrrolidin-1-ylmethanone
CID 109111917
N-(4-propan-2-ylphenyl)-6-(pyridin-2-ylmethylamino)pyridazine-3-carboxamide
CID 109120714

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide?
The IUPAC name of 2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide (CID 113042022) is 2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide.
What is the SMILES notation for 2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide?
The canonical SMILES for 2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide is O=C(Cc1ccccc1Br)Nc1ccc(NCc2ccccn2)nn1.
What is the InChIKey of 2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide?
The InChIKey is WBHJDBDWZVPNPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16BrN5O/c19-15-7-2-1-5-13(15)11-18(25)22-17-9-8-16(23-24-17)21-12-14-6-3-4-10-20-14/h1-10H,11-12H2,(H,21,23)(H,22,24,25).
What are the key properties of 2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide?
2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide has a molecular weight of 398.26 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]acetamide is sourced from PubChem (CID 113042022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).