N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide

C15H17ClN4O — CID 113047604

IUPACN-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2cccc(Cl)c2C)nn1
InChIInChI=1S/C15H17ClN4O/c1-3-5-15(21)18-14-9-8-13(19-20-14)17-12-7-4-6-11(16)10(12)2/h4,6-9H,3,5H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyZIODMUDOKXMVTK-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.92
Rot. Bonds5

About N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide

N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide (PubChem CID 113047604) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide
PubChem CID113047604
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC NameN-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2cccc(Cl)c2C)nn1
InChIInChI=1S/C15H17ClN4O/c1-3-5-15(21)18-14-9-8-13(19-20-14)17-12-7-4-6-11(16)10(12)2/h4,6-9H,3,5H2,1-2H3,(H,17,19)(H,18,20,21)
InChIKeyZIODMUDOKXMVTK-UHFFFAOYSA-N
XLogP3.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-2-phenylacetamide
CID 113047624
N-[6-(2,3-dichloroanilino)pyridazin-3-yl]pentanamide
CID 113050912
1-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]-3-propan-2-ylurea
CID 113047638
N-[6-(2-fluoroanilino)pyridazin-3-yl]butanamide
CID 113047136
6-(3-chloro-2-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124439
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-[(3-chloro-2-methylphenyl)carbamothioyl]butanamide
CID 916614
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide
CID 113046269
methyl 3-[[6-(butanoylamino)pyridazin-3-yl]amino]-4-chlorobenzoate
CID 113049521
N,N'-bis(3-chloro-2-methylphenyl)hexanediamide
CID 4050802
N-[6-(2-propan-2-yloxyanilino)pyridazin-3-yl]butanamide
CID 113048612
N,N'-bis(3-chloro-2-methylphenyl)decanediamide
CID 17080098

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide?
The IUPAC name of N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide (CID 113047604) is N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide.
What is the SMILES notation for N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide?
The canonical SMILES for N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide is CCCC(=O)Nc1ccc(Nc2cccc(Cl)c2C)nn1.
What is the InChIKey of N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide?
The InChIKey is ZIODMUDOKXMVTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-5-15(21)18-14-9-8-13(19-20-14)17-12-7-4-6-11(16)10(12)2/h4,6-9H,3,5H2,1-2H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide?
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide has a molecular weight of 304.78 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113047604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).