N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide

C23H23BrN4O — CID 25301822

IUPACN-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1cccc(Br)c1
InChIInChI=1S/C23H23BrN4O/c24-19-9-5-8-18(15-19)23(29)25-20-10-6-7-17(16-20)21-11-12-22(27-26-21)28-13-3-1-2-4-14-28/h5-12,15-16H,1-4,13-14H2,(H,25,29)
InChIKeyUOKDYIQYAPZIDG-UHFFFAOYSA-N
MW451.37 g/mol
LogP5.54
Rot. Bonds4

About N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide

N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide (PubChem CID 25301822) has the molecular formula C23H23BrN4O and a molecular weight of 451.37 g/mol. Its IUPAC name is N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide.

Molecular Properties

Compound NameN-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide
PubChem CID25301822
Molecular FormulaC23H23BrN4O
Molecular Weight451.37 g/mol
Exact Mass450.11
IUPAC NameN-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide
SMILESO=C(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1cccc(Br)c1
InChIInChI=1S/C23H23BrN4O/c24-19-9-5-8-18(15-19)23(29)25-20-10-6-7-17(16-20)21-11-12-22(27-26-21)28-13-3-1-2-4-14-28/h5-12,15-16H,1-4,13-14H2,(H,25,29)
InChIKeyUOKDYIQYAPZIDG-UHFFFAOYSA-N
XLogP5.54
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.37
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-iodobenzamide
CID 43991324
4-fluoro-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593222
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-(trifluoromethyl)benzamide
CID 41077791
2-bromo-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 41077710
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-phenylurea
CID 43991408
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816257
3-bromo-N-[3-(2-piperidin-1-yl-1,3-thiazol-4-yl)phenyl]benzamide
CID 1195316
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]thiophene-2-carboxamide
CID 7593249
N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816225
N-[3-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 7422444
3-methyl-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670441
2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593239

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide?
The IUPAC name of N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide (CID 25301822) is N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide.
What is the SMILES notation for N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide?
The canonical SMILES for N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide is O=C(Nc1cccc(-c2ccc(N3CCCCCC3)nn2)c1)c1cccc(Br)c1.
What is the InChIKey of N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide?
The InChIKey is UOKDYIQYAPZIDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O/c24-19-9-5-8-18(15-19)23(29)25-20-10-6-7-17(16-20)21-11-12-22(27-26-21)28-13-3-1-2-4-14-28/h5-12,15-16H,1-4,13-14H2,(H,25,29).
What are the key properties of N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide?
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide has a molecular weight of 451.37 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide is sourced from PubChem (CID 25301822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).