6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide

C17H21N5O2 — CID 109124466

IUPAC6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C17H21N5O2/c1-4-22(5-2)17(24)15-10-11-16(21-20-15)19-14-8-6-13(7-9-14)18-12(3)23/h6-11H,4-5H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyZBEVEKAHKCXGOJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP2.66
Rot. Bonds6

About 6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide

6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide (PubChem CID 109124466) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
PubChem CID109124466
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
SMILESCCN(CC)C(=O)c1ccc(Nc2ccc(NC(C)=O)cc2)nn1
InChIInChI=1S/C17H21N5O2/c1-4-22(5-2)17(24)15-10-11-16(21-20-15)19-14-8-6-13(7-9-14)18-12(3)23/h6-11H,4-5H2,1-3H3,(H,18,23)(H,19,21)
InChIKeyZBEVEKAHKCXGOJ-UHFFFAOYSA-N
XLogP2.66
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124438
N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124462
6-(4-acetamidoanilino)pyridazine-3-carboxylic acid
CID 60791814
6-[4-(diethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126267
6-(3-chloro-4-methylanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124442
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
CID 109120604
6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124484
6-[4-(dimethylamino)anilino]-N,N-dipropylpyridazine-3-carboxamide
CID 109126266
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-(4-acetamidoanilino)-N-(4-chlorophenyl)pyridazine-3-carboxamide
CID 109128783
N-[6-(4-acetamidoanilino)pyridazin-3-yl]butanamide
CID 113049268
methyl 3-[[6-(diethylcarbamoyl)pyridazin-3-yl]amino]benzoate
CID 109124468

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide?
The IUPAC name of 6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide (CID 109124466) is 6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide?
The canonical SMILES for 6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide is CCN(CC)C(=O)c1ccc(Nc2ccc(NC(C)=O)cc2)nn1.
What is the InChIKey of 6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide?
The InChIKey is ZBEVEKAHKCXGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-4-22(5-2)17(24)15-10-11-16(21-20-15)19-14-8-6-13(7-9-14)18-12(3)23/h6-11H,4-5H2,1-3H3,(H,18,23)(H,19,21).
What are the key properties of 6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide?
6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide has a molecular weight of 327.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide is sourced from PubChem (CID 109124466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).