6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide

C17H19ClN4O3S — CID 109122888

IUPAC6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
SMILESCc1cc(C)c(Nc2ccc(C(=O)NC3CCS(=O)(=O)C3)nn2)c(Cl)c1
InChIInChI=1S/C17H19ClN4O3S/c1-10-7-11(2)16(13(18)8-10)20-15-4-3-14(21-22-15)17(23)19-12-5-6-26(24,25)9-12/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyFMUPXTYEGQVAGG-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.41
Rot. Bonds4

About 6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide

6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide (PubChem CID 109122888) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is 6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
PubChem CID109122888
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC Name6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
SMILESCc1cc(C)c(Nc2ccc(C(=O)NC3CCS(=O)(=O)C3)nn2)c(Cl)c1
InChIInChI=1S/C17H19ClN4O3S/c1-10-7-11(2)16(13(18)8-10)20-15-4-3-14(21-22-15)17(23)19-12-5-6-26(24,25)9-12/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,19,23)(H,20,22)
InChIKeyFMUPXTYEGQVAGG-UHFFFAOYSA-N
XLogP2.41
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122798
6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 109122922
4-N-(2-chloro-4,6-dimethylphenyl)-2-N-(1,1-dioxothiolan-3-yl)pyrimidine-2,4-diamine
CID 112896000
N-(2-chloro-4,6-dimethylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-4-carboxamide
CID 109351769
N-(1,1-dioxothiolan-3-yl)-6-(2-methoxyethylamino)pyridazine-3-carboxamide
CID 109113749
6-(2,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)-2-methylpyrimidine-4-carboxamide
CID 109372464
N-(2-chloro-4,6-dimethylphenyl)-2-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-4-carboxamide
CID 109309164
N-cyclopropyl-6-(2,6-dichloroanilino)pyridazine-3-carboxamide
CID 109110170
N-(4-acetamidophenyl)-6-(2,4,6-trimethylanilino)pyridazine-3-carboxamide
CID 109128262
N-(1,1-dioxothiolan-3-yl)-6-(2-methyl-6-propan-2-ylanilino)pyrimidine-4-carboxamide
CID 109351844
N-(2-chloro-4,6-dimethylphenyl)-5-[(1,1-dioxothiolan-3-yl)amino]pyridine-3-carboxamide
CID 109237296
2,5-dichloro-N-[(3S)-1,1-dioxothiolan-3-yl]benzamide
CID 7259782

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide (CID 109122888) is 6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide is Cc1cc(C)c(Nc2ccc(C(=O)NC3CCS(=O)(=O)C3)nn2)c(Cl)c1.
What is the InChIKey of 6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
The InChIKey is FMUPXTYEGQVAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c1-10-7-11(2)16(13(18)8-10)20-15-4-3-14(21-22-15)17(23)19-12-5-6-26(24,25)9-12/h3-4,7-8,12H,5-6,9H2,1-2H3,(H,19,23)(H,20,22).
What are the key properties of 6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide?
6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 109122888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).