N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide

C19H17ClN4O — CID 113047565

IUPACN-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C19H17ClN4O/c1-13-3-2-4-14(11-13)12-19(25)22-18-10-9-17(23-24-18)21-16-7-5-15(20)6-8-16/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyGWLIGMLTIJOZET-UHFFFAOYSA-N
MW352.83 g/mol
LogP4.36
Rot. Bonds5

About N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide

N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide (PubChem CID 113047565) has the molecular formula C19H17ClN4O and a molecular weight of 352.83 g/mol. Its IUPAC name is N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
PubChem CID113047565
Molecular FormulaC19H17ClN4O
Molecular Weight352.83 g/mol
Exact Mass352.11
IUPAC NameN-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
SMILESCc1cccc(CC(=O)Nc2ccc(Nc3ccc(Cl)cc3)nn2)c1
InChIInChI=1S/C19H17ClN4O/c1-13-3-2-4-14(11-13)12-19(25)22-18-10-9-17(23-24-18)21-16-7-5-15(20)6-8-16/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25)
InChIKeyGWLIGMLTIJOZET-UHFFFAOYSA-N
XLogP4.36
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.83
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[6-[[2-(3-methylphenyl)acetyl]amino]pyridazin-3-yl]amino]benzoate
CID 113049498
N-[6-(3-fluoroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide
CID 113049983
2-(4-chlorophenyl)-N-[4-[(6-methylpyridazin-3-yl)amino]phenyl]acetamide
CID 56919650
N-[4-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]phenyl]-2-(3-methylphenyl)acetamide
CID 122292474
N-[6-(3,4-dichloroanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113022187
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(2-fluorophenyl)acetamide
CID 113047562
N-[6-(4-ethylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113017495
N-(3-chlorophenyl)-2-(3-methylphenyl)acetamide
CID 9497443
N-[6-(4-tert-butylanilino)-3-pyridinyl]-2-(3-methylphenyl)acetamide
CID 113018155
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-2-(4-methylphenyl)acetamide
CID 113051664
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-thiophen-2-ylacetamide
CID 113047543
2-(3-methylphenyl)-N-[2-[[6-(pyridin-4-ylamino)pyridazin-3-yl]amino]ethyl]acetamide
CID 122289096

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The IUPAC name of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide (CID 113047565) is N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide.
What is the SMILES notation for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The canonical SMILES for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide is Cc1cccc(CC(=O)Nc2ccc(Nc3ccc(Cl)cc3)nn2)c1.
What is the InChIKey of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
The InChIKey is GWLIGMLTIJOZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O/c1-13-3-2-4-14(11-13)12-19(25)22-18-10-9-17(23-24-18)21-16-7-5-15(20)6-8-16/h2-11H,12H2,1H3,(H,21,23)(H,22,24,25).
What are the key properties of N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide?
N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide has a molecular weight of 352.83 g/mol, XLogP of 4.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-chloroanilino)pyridazin-3-yl]-2-(3-methylphenyl)acetamide is sourced from PubChem (CID 113047565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).