N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

C24H18ClN3O3 — CID 108790883

IUPACN-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C24H18ClN3O3/c1-31-19-13-12-17(25)14-18(19)26-23(29)21-20(15-8-4-2-5-9-15)22(27-28-24(21)30)16-10-6-3-7-11-16/h2-14H,1H3,(H,26,29)(H,28,30)
InChIKeyWXZFIGIEKALYFU-UHFFFAOYSA-N
MW431.88 g/mol
LogP5.02
Rot. Bonds5

About N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide

N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (PubChem CID 108790883) has the molecular formula C24H18ClN3O3 and a molecular weight of 431.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
PubChem CID108790883
Molecular FormulaC24H18ClN3O3
Molecular Weight431.88 g/mol
Exact Mass431.10
IUPAC NameN-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O
InChIInChI=1S/C24H18ClN3O3/c1-31-19-13-12-17(25)14-18(19)26-23(29)21-20(15-8-4-2-5-9-15)22(27-28-24(21)30)16-10-6-3-7-11-16/h2-14H,1H3,(H,26,29)(H,28,30)
InChIKeyWXZFIGIEKALYFU-UHFFFAOYSA-N
XLogP5.02
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.88
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-oxo-6-phenyl-1H-pyridine-3-carboxamide
CID 66497852
methyl 3-[(6-oxo-3,4-diphenyl-1H-pyridazine-5-carbonyl)amino]benzoate
CID 108803578
6-N-(5-chloro-2-methoxyphenyl)-2-N-phenylpyridine-2,6-dicarboxamide
CID 109099986
N-(5-chloro-2-methoxyphenyl)-2-phenyl-1,3-thiazole-5-carboxamide
CID 55704407
N-(2,5-dimethoxyphenyl)-2-ethyl-3-oxo-5,6-diphenylpyridazine-4-carboxamide
CID 108790773
1-(5-chloro-2-methoxyphenyl)-3-(4-phenyl-1,3-thiazol-2-yl)urea
CID 20896160
N-(5-chloro-2-methoxyphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]acetamide
CID 135403338
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 23858757
2-benzoyl-N-(5-chloro-2-methoxyphenyl)benzamide
CID 16624498
N-(5-chloro-2-methoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 113323350
2-amino-6-chloro-N-(5-chloro-2-methoxyphenyl)benzamide
CID 63659121
N-(5-chloro-2-methoxyphenyl)-2-(4-phenylphenoxy)acetamide
CID 1193872

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide (CID 108790883) is N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is COc1ccc(Cl)cc1NC(=O)c1c(-c2ccccc2)c(-c2ccccc2)n[nH]c1=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
The InChIKey is WXZFIGIEKALYFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN3O3/c1-31-19-13-12-17(25)14-18(19)26-23(29)21-20(15-8-4-2-5-9-15)22(27-28-24(21)30)16-10-6-3-7-11-16/h2-14H,1H3,(H,26,29)(H,28,30).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide has a molecular weight of 431.88 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-6-oxo-3,4-diphenyl-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 108790883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).