6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide

C24H26N4O5S — CID 27428687

IUPAC6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C24H26N4O5S/c29-23-13-12-22(26-28(23)16-17-33-20-9-3-1-4-10-20)24(30)25-19-8-7-11-21(18-19)34(31,32)27-14-5-2-6-15-27/h1,3-4,7-13,18H,2,5-6,14-17H2,(H,25,30)
InChIKeyWOOSEFXNAIPFLY-UHFFFAOYSA-N
MW482.56 g/mol
LogP2.75
Rot. Bonds8

About 6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide

6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide (PubChem CID 27428687) has the molecular formula C24H26N4O5S and a molecular weight of 482.56 g/mol. Its IUPAC name is 6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
PubChem CID27428687
Molecular FormulaC24H26N4O5S
Molecular Weight482.56 g/mol
Exact Mass482.16
IUPAC Name6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C24H26N4O5S/c29-23-13-12-22(26-28(23)16-17-33-20-9-3-1-4-10-20)24(30)25-19-8-7-11-21(18-19)34(31,32)27-14-5-2-6-15-27/h1,3-4,7-13,18H,2,5-6,14-17H2,(H,25,30)
InChIKeyWOOSEFXNAIPFLY-UHFFFAOYSA-N
XLogP2.75
TPSA110.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.56
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26012508
N-[3-[2-(ethylamino)-2-oxoethoxy]phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 34870934
1-(4-fluorophenyl)-6-oxo-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 55631329
6-[(3-piperidin-1-ylsulfonylphenyl)carbamoyl]pyridine-2-carboxylic acid
CID 119179197
2-[methyl(3-phenoxypropyl)amino]-N-(3-piperidin-1-ylsulfonylphenyl)propanamide
CID 55680404
N-[4-(difluoromethoxy)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26738417
N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 24603947
1-(2-methoxyethyl)-6-oxo-N-[3-(pyrrolidin-1-ylmethyl)phenyl]pyridazine-3-carboxamide
CID 46410564
N-[4-(difluoromethylsulfanyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46595694
N-[2-(dimethylamino)-5-piperidin-1-ylsulfonylphenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 33297886
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-phenylacetamide
CID 4785250

Frequently Asked Questions

What is the IUPAC name of 6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide (CID 27428687) is 6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide is O=C(Nc1cccc(S(=O)(=O)N2CCCCC2)c1)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of 6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
The InChIKey is WOOSEFXNAIPFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5S/c29-23-13-12-22(26-28(23)16-17-33-20-9-3-1-4-10-20)24(30)25-19-8-7-11-21(18-19)34(31,32)27-14-5-2-6-15-27/h1,3-4,7-13,18H,2,5-6,14-17H2,(H,25,30).
What are the key properties of 6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide?
6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide has a molecular weight of 482.56 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 27428687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).