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

C22H22N4O3 — CID 50832171

IUPACN-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-n3nc(N4CCCC4)ccc3=O)cc2)c1
InChIInChI=1S/C22H22N4O3/c1-29-19-6-4-5-17(15-19)23-22(28)16-7-9-18(10-8-16)26-21(27)12-11-20(24-26)25-13-2-3-14-25/h4-12,15H,2-3,13-14H2,1H3,(H,23,28)
InChIKeyPCJJQMLOJVFWEQ-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.09
Rot. Bonds5

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

N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide (PubChem CID 50832171) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide.

Molecular Properties

Compound NameN-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
PubChem CID50832171
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC NameN-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
SMILESCOc1cccc(NC(=O)c2ccc(-n3nc(N4CCCC4)ccc3=O)cc2)c1
InChIInChI=1S/C22H22N4O3/c1-29-19-6-4-5-17(15-19)23-22(28)16-7-9-18(10-8-16)26-21(27)12-11-20(24-26)25-13-2-3-14-25/h4-12,15H,2-3,13-14H2,1H3,(H,23,28)
InChIKeyPCJJQMLOJVFWEQ-UHFFFAOYSA-N
XLogP3.09
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[1-(4-fluorophenyl)-6-oxopyridazin-3-yl]-N-(3-methoxyphenyl)piperidine-3-carboxamide
CID 53071059
4-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(3-methoxyphenyl)benzamide
CID 26914610
6-[4-(3-methoxybenzoyl)piperazin-1-yl]-2-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53081989
N-(5-chloro-2-pyridinyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide
CID 50832154
N-(3-methoxyphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203921
4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)-N-(2-phenylethyl)benzamide
CID 50832290
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890
N-(3-methoxyphenyl)-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 46764677
4-acetyl-N-(3-methoxyphenyl)benzamide
CID 16640996
N-(3-methoxyphenyl)-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)imidazole-4-carboxamide
CID 53171974
5-(3-methoxyanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-3-carboxamide
CID 109245265
N-(3,5-dimethoxyphenyl)-1-[1-(3-fluorophenyl)-6-oxopyridazin-3-yl]piperidine-4-carboxamide
CID 53070617

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide?
The IUPAC name of N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide (CID 50832171) is N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide.
What is the SMILES notation for N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide?
The canonical SMILES for N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide is COc1cccc(NC(=O)c2ccc(-n3nc(N4CCCC4)ccc3=O)cc2)c1.
What is the InChIKey of N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide?
The InChIKey is PCJJQMLOJVFWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O3/c1-29-19-6-4-5-17(15-19)23-22(28)16-7-9-18(10-8-16)26-21(27)12-11-20(24-26)25-13-2-3-14-25/h4-12,15H,2-3,13-14H2,1H3,(H,23,28).
What are the key properties of N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide?
N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide has a molecular weight of 390.44 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxyphenyl)-4-(6-oxo-3-pyrrolidin-1-ylpyridazin-1-yl)benzamide is sourced from PubChem (CID 50832171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).