N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide

C20H18ClN3O3 — CID 24676491

IUPACN-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1=O
InChIInChI=1S/C20H18ClN3O3/c1-2-12-24-19(25)11-9-16(23-24)20(26)22-17-13-14(21)8-10-18(17)27-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H,22,26)
InChIKeyOPGPBBFAIWHPAT-UHFFFAOYSA-N
MW383.84 g/mol
LogP4.35
Rot. Bonds6

About N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide

N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide (PubChem CID 24676491) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
PubChem CID24676491
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1=O
InChIInChI=1S/C20H18ClN3O3/c1-2-12-24-19(25)11-9-16(23-24)20(26)22-17-13-14(21)8-10-18(17)27-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H,22,26)
InChIKeyOPGPBBFAIWHPAT-UHFFFAOYSA-N
XLogP4.35
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2,5-dichlorophenyl)-6-oxo-1-(2-phenoxyethyl)pyridazine-3-carboxamide
CID 32615969
N-[5-chloro-2-(4-methylphenoxy)phenyl]-6-oxo-1-phenylpyridazine-3-carboxamide
CID 52572154
N-[2-(4-ethoxyphenoxy)phenyl]-1-(2-methoxyethyl)-6-oxopyridazine-3-carboxamide
CID 46636276
N-(5-chloro-2-phenoxyphenyl)benzamide
CID 956230
1-(5-chloro-2-phenoxyphenyl)-3-propylurea
CID 100748519
methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate
CID 18081327
1-benzyl-N-(2,5-diethoxyphenyl)-6-oxopyridazine-3-carboxamide
CID 31526625
1-(2-methoxyethyl)-6-oxo-N-(4-phenoxyphenyl)pyridazine-3-carboxamide
CID 33238572
N-(5-chloro-2-phenoxyphenyl)-4-methylbenzamide
CID 956260
N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 87004540
6-oxo-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]-1-propylpyridazine-3-carboxamide
CID 30729881
1-butyl-N-(2-hydroxyphenyl)-6-oxopyridazine-3-carboxamide
CID 25474489

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The IUPAC name of N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide (CID 24676491) is N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide is CCCn1nc(C(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1=O.
What is the InChIKey of N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
The InChIKey is OPGPBBFAIWHPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c1-2-12-24-19(25)11-9-16(23-24)20(26)22-17-13-14(21)8-10-18(17)27-15-6-4-3-5-7-15/h3-11,13H,2,12H2,1H3,(H,22,26).
What are the key properties of N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide?
N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-phenoxyphenyl)-6-oxo-1-propylpyridazine-3-carboxamide is sourced from PubChem (CID 24676491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).