N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide

C19H18N4OS — CID 133397231

IUPACN-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCc2ccc(Sc3ccccc3)cc2)nn1
InChIInChI=1S/C19H18N4OS/c1-20-19(24)17-11-12-18(23-22-17)21-13-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,24)(H,21,23)
InChIKeyABRWXYMZTWHUFE-UHFFFAOYSA-N
MW350.45 g/mol
LogP3.60
Rot. Bonds6

About N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide

N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide (PubChem CID 133397231) has the molecular formula C19H18N4OS and a molecular weight of 350.45 g/mol. Its IUPAC name is N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide
PubChem CID133397231
Molecular FormulaC19H18N4OS
Molecular Weight350.45 g/mol
Exact Mass350.12
IUPAC NameN-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NCc2ccc(Sc3ccccc3)cc2)nn1
InChIInChI=1S/C19H18N4OS/c1-20-19(24)17-11-12-18(23-22-17)21-13-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,24)(H,21,23)
InChIKeyABRWXYMZTWHUFE-UHFFFAOYSA-N
XLogP3.60
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-[(4-phenoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 133343379
6-[(4-hydroxyphenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 115669027
N-methyl-6-(naphthalen-2-ylmethylamino)pyridazine-3-carboxamide
CID 133328883
N-methyl-6-[(4-nitrophenyl)methylamino]pyridazine-3-carboxamide
CID 79211637
N-methyl-6-(naphthalen-1-ylmethylamino)pyridazine-3-carboxamide
CID 133329112
6-[(4-bromo-3-fluorophenyl)methylamino]-N-methylpyridazine-3-carboxamide
CID 133342969
6-(benzylamino)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109117752
N-methyl-6-[(2-phenoxyphenyl)methylamino]pyridazine-3-carboxamide
CID 133329071
N-methyl-6-[(2-nitrophenyl)methylamino]pyridazine-3-carboxamide
CID 79211634
6-[[4-(methylsulfonylmethyl)phenyl]methylamino]-N-phenylpyridazine-3-carboxamide
CID 133313960
N-ethyl-6-[(4-ethylphenyl)methylamino]pyridazine-3-carboxamide
CID 106898486
6-(benzylamino)-N-(2,6-dichlorophenyl)pyridazine-3-carboxamide
CID 109117824

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide (CID 133397231) is N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide is CNC(=O)c1ccc(NCc2ccc(Sc3ccccc3)cc2)nn1.
What is the InChIKey of N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide?
The InChIKey is ABRWXYMZTWHUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4OS/c1-20-19(24)17-11-12-18(23-22-17)21-13-14-7-9-16(10-8-14)25-15-5-3-2-4-6-15/h2-12H,13H2,1H3,(H,20,24)(H,21,23).
What are the key properties of N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide?
N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide has a molecular weight of 350.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(4-phenylsulfanylphenyl)methylamino]pyridazine-3-carboxamide is sourced from PubChem (CID 133397231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).