N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide

C17H19ClN4O3S — CID 109123676

IUPACN-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide
SMILESCCN(c1ccc(C(=O)Nc2cccc(Cl)c2)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H19ClN4O3S/c1-2-22(14-8-9-26(24,25)11-14)16-7-6-15(20-21-16)17(23)19-13-5-3-4-12(18)10-13/h3-7,10,14H,2,8-9,11H2,1H3,(H,19,23)
InChIKeyBAAVWQDQMHJTBC-UHFFFAOYSA-N
MW394.88 g/mol
LogP2.40
Rot. Bonds5

About N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide

N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide (PubChem CID 109123676) has the molecular formula C17H19ClN4O3S and a molecular weight of 394.88 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide
PubChem CID109123676
Molecular FormulaC17H19ClN4O3S
Molecular Weight394.88 g/mol
Exact Mass394.09
IUPAC NameN-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide
SMILESCCN(c1ccc(C(=O)Nc2cccc(Cl)c2)nn1)C1CCS(=O)(=O)C1
InChIInChI=1S/C17H19ClN4O3S/c1-2-22(14-8-9-26(24,25)11-14)16-7-6-15(20-21-16)17(23)19-13-5-3-4-12(18)10-13/h3-7,10,14H,2,8-9,11H2,1H3,(H,19,23)
InChIKeyBAAVWQDQMHJTBC-UHFFFAOYSA-N
XLogP2.40
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methoxyphenyl)pyridazine-3-carboxamide
CID 109123679
N-(2,6-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide
CID 109123686
6-N-(3-chlorophenyl)-4-N-(1,1-dioxothiolan-3-yl)-4-N-ethyl-2-methylpyrimidine-4,6-diamine
CID 112875162
N-(4-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109122960
6-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-[(2-fluorophenyl)methyl]pyridazine-3-carboxamide
CID 109119315
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-fluorophenyl)pyrimidine-4-carboxamide
CID 109310102
2-N-(3-chlorophenyl)-4-N-(1,1-dioxothiolan-3-yl)-4-N-ethylpyrimidine-2,4-diamine
CID 112897606
N-(3-chlorophenyl)-N'-(1,1-dioxothiolan-3-yl)-N'-ethylpropanediamide
CID 108950152
N-(3-chlorophenyl)-2-[(1,1-dioxothiolan-3-yl)-methylamino]-6-methylpyrimidine-4-carboxamide
CID 109331451
N-(3,4-difluorophenyl)-6-[(1,1-dioxothiolan-3-yl)-methylamino]pyridazine-3-carboxamide
CID 109122985
4-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-methylphenyl)pyridine-2-carboxamide
CID 109215799
2-[(1,1-dioxothiolan-3-yl)-ethylamino]-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109331910

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide (CID 109123676) is N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide is CCN(c1ccc(C(=O)Nc2cccc(Cl)c2)nn1)C1CCS(=O)(=O)C1.
What is the InChIKey of N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide?
The InChIKey is BAAVWQDQMHJTBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O3S/c1-2-22(14-8-9-26(24,25)11-14)16-7-6-15(20-21-16)17(23)19-13-5-3-4-12(18)10-13/h3-7,10,14H,2,8-9,11H2,1H3,(H,19,23).
What are the key properties of N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide?
N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide has a molecular weight of 394.88 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-[(1,1-dioxothiolan-3-yl)-ethylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 109123676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).