N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide

C16H20N4O — CID 113046269

IUPACN-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2cc(C)ccc2C)nn1
InChIInChI=1S/C16H20N4O/c1-4-5-16(21)18-15-9-8-14(19-20-15)17-13-10-11(2)6-7-12(13)3/h6-10H,4-5H2,1-3H3,(H,17,19)(H,18,20,21)
InChIKeyCWBOYTOWVCCMRO-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.58
Rot. Bonds5

About N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide

N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide (PubChem CID 113046269) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide
PubChem CID113046269
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2cc(C)ccc2C)nn1
InChIInChI=1S/C16H20N4O/c1-4-5-16(21)18-15-9-8-14(19-20-15)17-13-10-11(2)6-7-12(13)3/h6-10H,4-5H2,1-3H3,(H,17,19)(H,18,20,21)
InChIKeyCWBOYTOWVCCMRO-UHFFFAOYSA-N
XLogP3.58
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(2,5-dimethylanilino)pyridazin-3-yl]-2-(4-methylphenoxy)acetamide
CID 113046299
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
CID 113047760
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]propane-1-sulfonamide
CID 113046314
N-[6-(2-fluoroanilino)pyridazin-3-yl]butanamide
CID 113047136
N-[6-(3-chloro-2-methylanilino)pyridazin-3-yl]butanamide
CID 113047604
N-[2-methyl-5-(4-methylphenyl)phenyl]butanamide
CID 170112868
N-[6-(2-methylanilino)pyridazin-3-yl]propanamide
CID 113045581
N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
CID 113049268
6-(2,5-dimethylanilino)-N-(4-ethoxyphenyl)pyridazine-3-carboxamide
CID 109127582
methyl 3-[[6-(butanoylamino)pyridazin-3-yl]amino]-4-chlorobenzoate
CID 113049521
N-(2,5-dimethylphenyl)-3-(dipropylamino)propanamide
CID 109033115
N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide
CID 113049122

Frequently Asked Questions

What is the IUPAC name of N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide?
The IUPAC name of N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide (CID 113046269) is N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide.
What is the SMILES notation for N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide?
The canonical SMILES for N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide is CCCC(=O)Nc1ccc(Nc2cc(C)ccc2C)nn1.
What is the InChIKey of N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide?
The InChIKey is CWBOYTOWVCCMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-4-5-16(21)18-15-9-8-14(19-20-15)17-13-10-11(2)6-7-12(13)3/h6-10H,4-5H2,1-3H3,(H,17,19)(H,18,20,21).
What are the key properties of N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide?
N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide has a molecular weight of 284.36 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2,5-dimethylanilino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113046269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).