N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide

C16H19N5O2 — CID 113049268

IUPACN-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C16H19N5O2/c1-3-4-16(23)19-15-10-9-14(20-21-15)18-13-7-5-12(6-8-13)17-11(2)22/h5-10H,3-4H2,1-2H3,(H,17,22)(H,18,20)(H,19,21,23)
InChIKeyYTMMTWNIUQTZJY-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.92
Rot. Bonds6

About N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide

N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide (PubChem CID 113049268) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
PubChem CID113049268
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C16H19N5O2/c1-3-4-16(23)19-15-10-9-14(20-21-15)18-13-7-5-12(6-8-13)17-11(2)22/h5-10H,3-4H2,1-2H3,(H,17,22)(H,18,20)(H,19,21,23)
InChIKeyYTMMTWNIUQTZJY-UHFFFAOYSA-N
XLogP2.92
TPSA96.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide
CID 113049122
methyl 4-[[6-(butanoylamino)pyridazin-3-yl]amino]benzoate
CID 113049458
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
CID 113047760
N-[4-[[6-(ethylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049321
N-[6-(4-acetamidoanilino)pyridazin-3-yl]-2-(4-fluorophenyl)acetamide
CID 113049292
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide
CID 113050204
N-[6-(4-acetamidoanilino)pyridazin-3-yl]cyclopropanecarboxamide
CID 113049270
N-[4-[[6-(butylsulfonylamino)pyridazin-3-yl]amino]phenyl]acetamide
CID 113049323
6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
CID 60791814
6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124466
N-[4-(butanoylamino)phenyl]butanamide;ethane
CID 166169399
N-[4-[[2-(4-acetamidoanilino)acetyl]amino]phenyl]butanamide
CID 54809172

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide?
The IUPAC name of N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide (CID 113049268) is N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide.
What is the SMILES notation for N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide?
The canonical SMILES for N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide is CCCC(=O)Nc1ccc(Nc2ccc(NC(C)=O)cc2)nn1.
What is the InChIKey of N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide?
The InChIKey is YTMMTWNIUQTZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-3-4-16(23)19-15-10-9-14(20-21-15)18-13-7-5-12(6-8-13)17-11(2)22/h5-10H,3-4H2,1-2H3,(H,17,22)(H,18,20)(H,19,21,23).
What are the key properties of N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide?
N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide has a molecular weight of 313.36 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113049268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).