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

C22H22N4O2 — CID 50816225

IUPACN-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1
InChIInChI=1S/C22H22N4O2/c1-28-19-9-7-18(8-10-19)23-22(27)17-6-4-5-16(15-17)20-11-12-21(25-24-20)26-13-2-3-14-26/h4-12,15H,2-3,13-14H2,1H3,(H,23,27)
InChIKeyVQVAXTJKQCLTHX-UHFFFAOYSA-N
MW374.44 g/mol
LogP4.00
Rot. Bonds5

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

N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (PubChem CID 50816225) has the molecular formula C22H22N4O2 and a molecular weight of 374.44 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
PubChem CID50816225
Molecular FormulaC22H22N4O2
Molecular Weight374.44 g/mol
Exact Mass374.17
IUPAC NameN-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
SMILESCOc1ccc(NC(=O)c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1
InChIInChI=1S/C22H22N4O2/c1-28-19-9-7-18(8-10-19)23-22(27)17-6-4-5-16(15-17)20-11-12-21(25-24-20)26-13-2-3-14-26/h4-12,15H,2-3,13-14H2,1H3,(H,23,27)
InChIKeyVQVAXTJKQCLTHX-UHFFFAOYSA-N
XLogP4.00
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 46375078
3-methyl-N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670441
2-(4-methoxyphenoxy)-N-[3-(6-piperidin-1-ylpyridazin-3-yl)phenyl]acetamide
CID 43991777
2,6-dimethoxy-N-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 7593239
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 50816257
1-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-(3-methoxyphenyl)urea
CID 43991414
N-[3-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-3-bromobenzamide
CID 25301822
N-[4-(6-piperidin-1-ylpyridazin-3-yl)phenyl]benzamide
CID 8670425
1-(2,4-dimethoxyphenyl)-3-[3-(6-pyrrolidin-1-ylpyridazin-3-yl)phenyl]urea
CID 43991686
N-(4-chlorophenyl)-3-(6-morpholin-4-ylpyridazin-3-yl)benzamide
CID 50815960
N-[4-[6-(azepan-1-yl)pyridazin-3-yl]phenyl]-4-phenylbenzamide
CID 43992160
N-(4-methylphenyl)-4-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide
CID 53098734

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The IUPAC name of N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide (CID 50816225) is N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide.
What is the SMILES notation for N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The canonical SMILES for N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is COc1ccc(NC(=O)c2cccc(-c3ccc(N4CCCC4)nn3)c2)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
The InChIKey is VQVAXTJKQCLTHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2/c1-28-19-9-7-18(8-10-19)23-22(27)17-6-4-5-16(15-17)20-11-12-21(25-24-20)26-13-2-3-14-26/h4-12,15H,2-3,13-14H2,1H3,(H,23,27).
What are the key properties of N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide?
N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide has a molecular weight of 374.44 g/mol, XLogP of 4.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-3-(6-pyrrolidin-1-ylpyridazin-3-yl)benzamide is sourced from PubChem (CID 50816225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).