N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide

C16H17ClN4O3S — CID 109122798

IUPACN-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC3CCS(=O)(=O)C3)nn2)cc1Cl
InChIInChI=1S/C16H17ClN4O3S/c1-10-2-3-11(8-13(10)17)19-16(22)14-4-5-15(21-20-14)18-12-6-7-25(23,24)9-12/h2-5,8,12H,6-7,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyIKMDYTABSQUSDM-UHFFFAOYSA-N
MW380.86 g/mol
LogP2.29
Rot. Bonds4

About N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide

N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide (PubChem CID 109122798) has the molecular formula C16H17ClN4O3S and a molecular weight of 380.86 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
PubChem CID109122798
Molecular FormulaC16H17ClN4O3S
Molecular Weight380.86 g/mol
Exact Mass380.07
IUPAC NameN-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(NC3CCS(=O)(=O)C3)nn2)cc1Cl
InChIInChI=1S/C16H17ClN4O3S/c1-10-2-3-11(8-13(10)17)19-16(22)14-4-5-15(21-20-14)18-12-6-7-25(23,24)9-12/h2-5,8,12H,6-7,9H2,1H3,(H,18,21)(H,19,22)
InChIKeyIKMDYTABSQUSDM-UHFFFAOYSA-N
XLogP2.29
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.86
LogP ≤ 52.29
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]pyridine-3-carboxamide
CID 109159297
N-(5-chloro-2-methoxyphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide
CID 109122802
N-(3-bromo-4-methylphenyl)-6-(cyclopentylamino)pyridazine-3-carboxamide
CID 109112196
6-(2-chloro-4,6-dimethylanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 109122888
2-chloro-N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]benzamide
CID 113042939
6-[(1,1-dioxothiolan-3-yl)amino]-N-(2-methoxyphenyl)pyridazine-3-carboxamide
CID 109122803
6-(3,4-difluoroanilino)-N-(1,1-dioxothiolan-3-yl)pyridazine-3-carboxamide
CID 109122922
N-(3-chloro-4-methylphenyl)-5-[(1,1-dioxothiolan-3-yl)-methylamino]pyridine-2-carboxamide
CID 109193318
6-[(1,1-dioxothiolan-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121378
6-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
CID 109112976
6-(cyclopropylamino)-N-(3,5-dimethylphenyl)pyridazine-3-carboxamide
CID 109109890
N-[6-[(1,1-dioxothiolan-3-yl)amino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113042905

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide (CID 109122798) is N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(NC3CCS(=O)(=O)C3)nn2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide?
The InChIKey is IKMDYTABSQUSDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O3S/c1-10-2-3-11(8-13(10)17)19-16(22)14-4-5-15(21-20-14)18-12-6-7-25(23,24)9-12/h2-5,8,12H,6-7,9H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide?
N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide has a molecular weight of 380.86 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 109122798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).