2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide

C21H19BrN4O — CID 41077710

IUPAC2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccccc1Br
InChIInChI=1S/C21H19BrN4O/c22-18-9-2-1-8-17(18)21(27)23-16-7-5-6-15(14-16)19-10-11-20(25-24-19)26-12-3-4-13-26/h1-2,5-11,14H,3-4,12-13H2,(H,23,27)
InChIKeyJAWBAXYUIXWPRI-UHFFFAOYSA-N
MW423.31 g/mol
LogP4.76
Rot. Bonds4

About 2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide

2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 41077710) has the molecular formula C21H19BrN4O and a molecular weight of 423.31 g/mol. Its IUPAC name is 2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID41077710
Molecular FormulaC21H19BrN4O
Molecular Weight423.31 g/mol
Exact Mass422.07
IUPAC Name2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccccc1Br
InChIInChI=1S/C21H19BrN4O/c22-18-9-2-1-8-17(18)21(27)23-16-7-5-6-15(14-16)19-10-11-20(25-24-19)26-12-3-4-13-26/h1-2,5-11,14H,3-4,12-13H2,(H,23,27)
InChIKeyJAWBAXYUIXWPRI-UHFFFAOYSA-N
XLogP4.76
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.31
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-[3-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077570
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide
CID 25301822
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenylurea
CID 43991408
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2,4-dichlorobenzamide
CID 43991326
4-fluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593222
2-iodo-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41077662
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-6,8-dibromo-2-oxochromene-3-carboxamide
CID 43991325
2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 16800087
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-iodobenzamide
CID 43991324
2-bromo-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41078004
2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593239
2-fluoro-N-[3-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 7422407

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide (CID 41077710) is 2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide is O=C(Nc1cccc(-c2ccc(N3CCCC3)nn2)c1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is JAWBAXYUIXWPRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O/c22-18-9-2-1-8-17(18)21(27)23-16-7-5-6-15(14-16)19-10-11-20(25-24-19)26-12-3-4-13-26/h1-2,5-11,14H,3-4,12-13H2,(H,23,27).
What are the key properties of 2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 423.31 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 41077710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).