1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide

C23H26N4O4S — CID 55798264

IUPAC1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1=NN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C23H26N4O4S/c28-22-13-12-21(25-27(22)17-19-6-2-1-3-7-19)23(29)24-16-18-8-10-20(11-9-18)32(30,31)26-14-4-5-15-26/h1-3,6-11H,4-5,12-17H2,(H,24,29)
InChIKeyCAUDRWPFPLRGDU-UHFFFAOYSA-N
MW454.55 g/mol
LogP2.27
Rot. Bonds7

About 1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide

1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide (PubChem CID 55798264) has the molecular formula C23H26N4O4S and a molecular weight of 454.55 g/mol. Its IUPAC name is 1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide
PubChem CID55798264
Molecular FormulaC23H26N4O4S
Molecular Weight454.55 g/mol
Exact Mass454.17
IUPAC Name1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1=NN(Cc2ccccc2)C(=O)CC1
InChIInChI=1S/C23H26N4O4S/c28-22-13-12-21(25-27(22)17-19-6-2-1-3-7-19)23(29)24-16-18-8-10-20(11-9-18)32(30,31)26-14-4-5-15-26/h1-3,6-11H,4-5,12-17H2,(H,24,29)
InChIKeyCAUDRWPFPLRGDU-UHFFFAOYSA-N
XLogP2.27
TPSA99.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-benzyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 55750017
1-benzyl-N-[(1-ethylpyrrolidin-3-yl)methyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 136578607
N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoxaline-2-carboxamide
CID 55737335
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 119944774
1-(benzenesulfonyl)-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]piperidine-4-carboxamide
CID 28561875
2-amino-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide;hydrochloride
CID 119944773
6-chloro-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyridine-3-carboxamide
CID 46592420
1-benzyl-2-methyl-3-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]guanidine;hydroiodide
CID 110953045
2-chloro-6-fluoro-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]benzamide
CID 108736211
N-benzyl-3-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 46385970
4-methyl-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]quinoline-2-carboxamide
CID 46974547
N-[(4-piperidin-1-ylsulfonylphenyl)methyl]pyrazine-2-carboxamide
CID 51197502

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide (CID 55798264) is 1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1=NN(Cc2ccccc2)C(=O)CC1.
What is the InChIKey of 1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide?
The InChIKey is CAUDRWPFPLRGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O4S/c28-22-13-12-21(25-27(22)17-19-6-2-1-3-7-19)23(29)24-16-18-8-10-20(11-9-18)32(30,31)26-14-4-5-15-26/h1-3,6-11H,4-5,12-17H2,(H,24,29).
What are the key properties of 1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide?
1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide has a molecular weight of 454.55 g/mol, XLogP of 2.27, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-oxo-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]-4,5-dihydropyridazine-3-carboxamide is sourced from PubChem (CID 55798264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).