2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide

C28H24N4O2 — CID 121046314

IUPAC2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C28H24N4O2/c33-27(21-8-2-1-3-9-21)23-10-4-5-11-24(23)28(34)29-22-14-12-20(13-15-22)25-16-17-26(31-30-25)32-18-6-7-19-32/h1-5,8-17H,6-7,18-19H2,(H,29,34)
InChIKeyDYZPGPLWEIICCJ-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.23
Rot. Bonds6

About 2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide

2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide (PubChem CID 121046314) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
PubChem CID121046314
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C28H24N4O2/c33-27(21-8-2-1-3-9-21)23-10-4-5-11-24(23)28(34)29-22-14-12-20(13-15-22)25-16-17-26(31-30-25)32-18-6-7-19-32/h1-5,8-17H,6-7,18-19H2,(H,29,34)
InChIKeyDYZPGPLWEIICCJ-UHFFFAOYSA-N
XLogP5.23
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
2-fluoro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593284
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992543
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-2-(trifluoromethyl)benzamide
CID 41089339
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-2-(trifluoromethyl)benzamide
CID 41077882
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734
3-methyl-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670441
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-tert-butylbenzamide
CID 43992152
2-bromo-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]benzamide
CID 16800087
5-bromo-2-chloro-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 41077945
2-bromo-N-[4-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 41078004

Frequently Asked Questions

What is the IUPAC name of 2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The IUPAC name of 2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide (CID 121046314) is 2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide.
What is the SMILES notation for 2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The canonical SMILES for 2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide is O=C(Nc1ccc(-c2ccc(N3CCCC3)nn2)cc1)c1ccccc1C(=O)c1ccccc1.
What is the InChIKey of 2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
The InChIKey is DYZPGPLWEIICCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c33-27(21-8-2-1-3-9-21)23-10-4-5-11-24(23)28(34)29-22-14-12-20(13-15-22)25-16-17-26(31-30-25)32-18-6-7-19-32/h1-5,8-17H,6-7,18-19H2,(H,29,34).
What are the key properties of 2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide?
2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide has a molecular weight of 448.53 g/mol, XLogP of 5.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide is sourced from PubChem (CID 121046314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).