N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

C23H23ClN4O4 — CID 24603947

IUPACN-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C23H23ClN4O4/c24-18-7-4-8-19(22(18)27-11-14-31-15-12-27)25-23(30)20-9-10-21(29)28(26-20)13-16-32-17-5-2-1-3-6-17/h1-10H,11-16H2,(H,25,30)
InChIKeyIKVUGNXCWVANEZ-UHFFFAOYSA-N
MW454.91 g/mol
LogP3.06
Rot. Bonds7

About N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide

N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (PubChem CID 24603947) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
PubChem CID24603947
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC NameN-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
SMILESO=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(=O)n(CCOc2ccccc2)n1
InChIInChI=1S/C23H23ClN4O4/c24-18-7-4-8-19(22(18)27-11-14-31-15-12-27)25-23(30)20-9-10-21(29)28(26-20)13-16-32-17-5-2-1-3-6-17/h1-10H,11-16H2,(H,25,30)
InChIKeyIKVUGNXCWVANEZ-UHFFFAOYSA-N
XLogP3.06
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(2,5-dichlorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32615969
6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxylic acid
CID 7131845
N-[2-(dimethylsulfamoyl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55985605
N-[2-(2-chloroanilino)-2-oxoethyl]-N-methyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 38661688
1-benzyl-N-(2-morpholin-4-ylphenyl)-6-oxopyridazine-3-carboxamide
CID 51157406
6-oxo-1-(2-phenoxyethyl)-N-(3-piperidin-1-ylsulfonylphenyl)pyridazine-3-carboxamide
CID 27428687
N-[2,4-di(propan-2-yl)phenyl]-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 46436516
N-(4-carbamoylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 26012508
N-(3-chloro-2-morpholin-4-ylphenyl)-2-(4-iodophenoxy)acetamide
CID 55507135
N-tert-butyl-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 30780750
1-benzyl-N-(3-chloro-2-morpholin-4-ylphenyl)triazole-4-carboxamide
CID 18153239
N-(1-benzyl-1,2,4-triazol-3-yl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 55855876

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide (CID 24603947) is N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is O=C(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(=O)n(CCOc2ccccc2)n1.
What is the InChIKey of N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
The InChIKey is IKVUGNXCWVANEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c24-18-7-4-8-19(22(18)27-11-14-31-15-12-27)25-23(30)20-9-10-21(29)28(26-20)13-16-32-17-5-2-1-3-6-17/h1-10H,11-16H2,(H,25,30).
What are the key properties of N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide?
N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide has a molecular weight of 454.91 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-morpholin-4-ylphenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 24603947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).