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

C16H18N4O2 — CID 113049122

IUPACN-[6-(4-acetylanilino)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(C(C)=O)cc2)nn1
InChIInChI=1S/C16H18N4O2/c1-3-4-16(22)18-15-10-9-14(19-20-15)17-13-7-5-12(6-8-13)11(2)21/h5-10H,3-4H2,1-2H3,(H,17,19)(H,18,20,22)
InChIKeyRHJLZSFXFGLNQK-UHFFFAOYSA-N
MW298.35 g/mol
LogP3.16
Rot. Bonds6

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

N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide (PubChem CID 113049122) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide.

Molecular Properties

Compound NameN-[6-(4-acetylanilino)pyridazin-3-yl]butanamide
PubChem CID113049122
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC NameN-[6-(4-acetylanilino)pyridazin-3-yl]butanamide
SMILESCCCC(=O)Nc1ccc(Nc2ccc(C(C)=O)cc2)nn1
InChIInChI=1S/C16H18N4O2/c1-3-4-16(22)18-15-10-9-14(19-20-15)17-13-7-5-12(6-8-13)11(2)21/h5-10H,3-4H2,1-2H3,(H,17,19)(H,18,20,22)
InChIKeyRHJLZSFXFGLNQK-UHFFFAOYSA-N
XLogP3.16
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
CID 113049268
methyl 4-[[6-(butanoylamino)pyridazin-3-yl]amino]benzoate
CID 113049458
N-[6-(4-acetylanilino)pyridazin-3-yl]-3-methylbutanamide
CID 113049126
methyl N-[6-(4-acetylanilino)pyridazin-3-yl]carbamate
CID 113049175
N-[6-(4-acetylanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113049129
N-[6-(4-acetylanilino)pyridazin-3-yl]-2-(4-methoxyphenyl)acetamide
CID 113049153
1-[6-(4-acetylanilino)pyridazin-3-yl]-3-phenylurea
CID 113049173
N-[6-(3-chloro-4-methylanilino)pyridazin-3-yl]butanamide
CID 113047760
6-(4-acetylanilino)-N-propylpyridazine-3-carboxamide
CID 109109344
6-(4-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129827
N-[6-(4-acetylanilino)pyridazin-3-yl]-4-methoxybenzamide
CID 113049142
N-[6-(1,3-benzodioxol-5-ylamino)pyridazin-3-yl]butanamide
CID 113050204

Frequently Asked Questions

What is the IUPAC name of N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide?
The IUPAC name of N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide (CID 113049122) is N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide.
What is the SMILES notation for N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide?
The canonical SMILES for N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide is CCCC(=O)Nc1ccc(Nc2ccc(C(C)=O)cc2)nn1.
What is the InChIKey of N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide?
The InChIKey is RHJLZSFXFGLNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-3-4-16(22)18-15-10-9-14(19-20-15)17-13-7-5-12(6-8-13)11(2)21/h5-10H,3-4H2,1-2H3,(H,17,19)(H,18,20,22).
What are the key properties of N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide?
N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide has a molecular weight of 298.35 g/mol, XLogP of 3.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(4-acetylanilino)pyridazin-3-yl]butanamide is sourced from PubChem (CID 113049122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).