6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide

C20H20N4O — CID 109120604

IUPAC6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C20H20N4O/c1-2-24(15-16-9-5-3-6-10-16)20(25)18-13-14-19(23-22-18)21-17-11-7-4-8-12-17/h3-14H,2,15H2,1H3,(H,21,23)
InChIKeySZKXXVPBPLHVTP-UHFFFAOYSA-N
MW332.41 g/mol
LogP3.88
Rot. Bonds6

About 6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide

6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide (PubChem CID 109120604) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
PubChem CID109120604
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide
SMILESCCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C20H20N4O/c1-2-24(15-16-9-5-3-6-10-16)20(25)18-13-14-19(23-22-18)21-17-11-7-4-8-12-17/h3-14H,2,15H2,1H3,(H,21,23)
InChIKeySZKXXVPBPLHVTP-UHFFFAOYSA-N
XLogP3.88
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzyl-N-ethyl-6-hydrazinylpyridazine-3-carboxamide
CID 62243834
N-benzyl-N-ethyl-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109110994
6-anilino-N-benzyl-N-propan-2-ylpyridazine-3-carboxamide
CID 109125118
N-benzyl-N-ethyl-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118471
N-benzyl-6-chloro-N-ethylpyridazine-3-carboxamide
CID 60859356
N-benzyl-6-(5-chloro-2-methoxyanilino)-N-ethylpyridazine-3-carboxamide
CID 109120619
6-(4-chloroanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124438
6-(4-acetamidoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124466
N-benzyl-N-ethyl-6-[(4-methoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 109120158
N-benzyl-6-(4-fluoroanilino)-N-methylpyridazine-3-carboxamide
CID 109119112
6-(3-bromoanilino)-N,N-diethylpyridazine-3-carboxamide
CID 109124484
N,N-diethyl-6-[4-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109124462

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide?
The IUPAC name of 6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide (CID 109120604) is 6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide?
The canonical SMILES for 6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide is CCN(Cc1ccccc1)C(=O)c1ccc(Nc2ccccc2)nn1.
What is the InChIKey of 6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide?
The InChIKey is SZKXXVPBPLHVTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-2-24(15-16-9-5-3-6-10-16)20(25)18-13-14-19(23-22-18)21-17-11-7-4-8-12-17/h3-14H,2,15H2,1H3,(H,21,23).
What are the key properties of 6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide?
6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide has a molecular weight of 332.41 g/mol, XLogP of 3.88, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-benzyl-N-ethylpyridazine-3-carboxamide is sourced from PubChem (CID 109120604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).