6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide

C27H24N4O2 — CID 16832284

IUPAC6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C27H24N4O2/c32-26(28-21-13-15-22(16-14-21)31-17-7-8-18-31)24-23(19-9-3-1-4-10-19)25(29-30-27(24)33)20-11-5-2-6-12-20/h1-6,9-16H,7-8,17-18H2,(H,28,32)(H,30,33)
InChIKeyKKYJZLXCHHMRHN-UHFFFAOYSA-N
MW436.52 g/mol
LogP4.96
Rot. Bonds5

About 6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide

6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide (PubChem CID 16832284) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is 6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound Name6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide
PubChem CID16832284
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC Name6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide
SMILESO=C(Nc1ccc(N2CCCC2)cc1)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C27H24N4O2/c32-26(28-21-13-15-22(16-14-21)31-17-7-8-18-31)24-23(19-9-3-1-4-10-19)25(29-30-27(24)33)20-11-5-2-6-12-20/h1-6,9-16H,7-8,17-18H2,(H,28,32)(H,30,33)
InChIKeyKKYJZLXCHHMRHN-UHFFFAOYSA-N
XLogP4.96
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.52
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-oxo-3,4-diphenyl-N-(4-propan-2-ylphenyl)-1H-pyridazine-5-carboxamide
CID 108790884
N-[4-[(4-methylpiperidin-1-yl)methyl]phenyl]-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108737815
2-[[4-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoyl]amino]acetic acid
CID 108790984
2-methyl-N-(4-morpholin-4-ylphenyl)-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 16957852
N-(4,5-dimethyl-1,3-thiazol-2-yl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 16957838
5-phenyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 17434880
3,5-dimethyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-4-carboxamide
CID 110695203
N-(5-chloro-2-methylphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
CID 108790914
N-[4-(4-pyrrolidin-1-ylanilino)phenyl]benzamide
CID 112988758
4-[4-(azepan-1-yl)phenyl]-2H-phthalazin-1-one;ethane
CID 90706844
N-phenyl-4-piperidin-1-ylbenzamide
CID 53282261
N-[4-[(4-piperidin-1-ylphenyl)carbamoyl]phenyl]pyridine-2-carboxamide
CID 46489538

Frequently Asked Questions

What is the IUPAC name of 6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide?
The IUPAC name of 6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide (CID 16832284) is 6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide.
What is the SMILES notation for 6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide?
The canonical SMILES for 6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide is O=C(Nc1ccc(N2CCCC2)cc1)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of 6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide?
The InChIKey is KKYJZLXCHHMRHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O2/c32-26(28-21-13-15-22(16-14-21)31-17-7-8-18-31)24-23(19-9-3-1-4-10-19)25(29-30-27(24)33)20-11-5-2-6-12-20/h1-6,9-16H,7-8,17-18H2,(H,28,32)(H,30,33).
What are the key properties of 6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide?
6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 4.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-3,4-diphenyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 16832284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).