N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide

C22H22N4O — CID 53098734

IUPACN-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1
InChIInChI=1S/C22H22N4O/c1-16-4-10-19(11-5-16)23-22(27)18-8-6-17(7-9-18)20-12-13-21(25-24-20)26-14-2-3-15-26/h4-13H,2-3,14-15H2,1H3,(H,23,27)
InChIKeyKRSCMJZFCSQZNN-UHFFFAOYSA-N
MW358.45 g/mol
LogP4.30
Rot. Bonds4

About N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide

N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (PubChem CID 53098734) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
PubChem CID53098734
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC NameN-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESCc1ccc(NC(=O)c2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1
InChIInChI=1S/C22H22N4O/c1-16-4-10-19(11-5-16)23-22(27)18-8-6-17(7-9-18)20-12-13-21(25-24-20)26-14-2-3-15-26/h4-13H,2-3,14-15H2,1H3,(H,23,27)
InChIKeyKRSCMJZFCSQZNN-UHFFFAOYSA-N
XLogP4.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-tert-butylbenzamide
CID 43992152
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
1-(4-methylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992694
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3,4-dimethylbenzamide
CID 41077843
3-methyl-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670441
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-4-(trifluoromethyl)benzamide
CID 41089324
3,5-dimethyl-N-[4-[6-(4-methylpiperazin-4-ium-1-yl)pyridazin-3-yl]phenyl]benzamide
CID 7593450
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]-1,3-benzodioxole-5-carboxamide
CID 7593475
1-(2,4-dimethylphenyl)-3-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992699
1-phenyl-3-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43992543
2-benzoyl-N-[4-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 121046314

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (CID 53098734) is N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is Cc1ccc(NC(=O)c2ccc(-c3ccc(N4CCCC4)nn3)cc2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The InChIKey is KRSCMJZFCSQZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c1-16-4-10-19(11-5-16)23-22(27)18-8-6-17(7-9-18)20-12-13-21(25-24-20)26-14-2-3-15-26/h4-13H,2-3,14-15H2,1H3,(H,23,27).
What are the key properties of N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide has a molecular weight of 358.45 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 53098734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).