1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide

C18H16ClN3O2S — CID 8933859

IUPAC1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2cccs2)nn1-c1ccccc1Cl
InChIInChI=1S/C18H16ClN3O2S/c1-12-10-16(23)17(18(24)21(2)11-13-6-5-9-25-13)20-22(12)15-8-4-3-7-14(15)19/h3-10H,11H2,1-2H3
InChIKeyNGWFJTHDYKWIFS-UHFFFAOYSA-N
MW373.87 g/mol
LogP3.53
Rot. Bonds4

About 1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide

1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide (PubChem CID 8933859) has the molecular formula C18H16ClN3O2S and a molecular weight of 373.87 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
PubChem CID8933859
Molecular FormulaC18H16ClN3O2S
Molecular Weight373.87 g/mol
Exact Mass373.07
IUPAC Name1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)N(C)Cc2cccs2)nn1-c1ccccc1Cl
InChIInChI=1S/C18H16ClN3O2S/c1-12-10-16(23)17(18(24)21(2)11-13-6-5-9-25-13)20-22(12)15-8-4-3-7-14(15)19/h3-10H,11H2,1-2H3
InChIKeyNGWFJTHDYKWIFS-UHFFFAOYSA-N
XLogP3.53
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.87
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide
CID 18114180
1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-3-ylmethyl)pyridazine-3-carboxamide
CID 18117326
N-[(5-chlorothiophen-2-yl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 51230221
N-ethyl-6-methyl-4-oxo-N-(thiophen-2-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 39967969
N-[2-(2-bromoanilino)-2-oxoethyl]-1-(2-chlorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 27800958
1-(2-chlorophenyl)-N-[2-[di(propan-2-yl)amino]ethyl]-6-methyl-4-oxopyridazine-3-carboxamide
CID 18160800
N-benzyl-N,6-dimethyl-4-oxo-1-phenylpyridazine-3-carboxamide
CID 27666115
N-[2-(2-chloroanilino)-2-oxoethyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 38661301
3,6-dichloro-N-methyl-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 43395968
N-[(2,4-dimethylphenyl)methyl]-1-(2-fluorophenyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 18117120
6-methyl-1-(2-nitrophenyl)-4-oxo-N-(2-thiophen-2-ylethyl)pyridazine-3-carboxamide
CID 27770339
1-(2-fluorophenyl)-N-(2-hydroxyethyl)-N,6-dimethyl-4-oxopyridazine-3-carboxamide
CID 110886119

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide (CID 8933859) is 1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide is Cc1cc(=O)c(C(=O)N(C)Cc2cccs2)nn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is NGWFJTHDYKWIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2S/c1-12-10-16(23)17(18(24)21(2)11-13-6-5-9-25-13)20-22(12)15-8-4-3-7-14(15)19/h3-10H,11H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide?
1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 373.87 g/mol, XLogP of 3.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N,6-dimethyl-4-oxo-N-(thiophen-2-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 8933859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).