N-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide

C16H20N4O2S — CID 167919391

IUPACN-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N(C)C(C)c2ccc(S(C)=O)cc2)nn1
InChIInChI=1S/C16H20N4O2S/c1-11(12-5-7-13(8-6-12)23(4)22)20(3)15-10-9-14(18-19-15)16(21)17-2/h5-11H,1-4H3,(H,17,21)
InChIKeyRQXWUUJUTZRCMD-UHFFFAOYSA-N
MW332.43 g/mol
LogP1.77
Rot. Bonds5

About N-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide

N-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide (PubChem CID 167919391) has the molecular formula C16H20N4O2S and a molecular weight of 332.43 g/mol. Its IUPAC name is N-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide
PubChem CID167919391
Molecular FormulaC16H20N4O2S
Molecular Weight332.43 g/mol
Exact Mass332.13
IUPAC NameN-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(N(C)C(C)c2ccc(S(C)=O)cc2)nn1
InChIInChI=1S/C16H20N4O2S/c1-11(12-5-7-13(8-6-12)23(4)22)20(3)15-10-9-14(18-19-15)16(21)17-2/h5-11H,1-4H3,(H,17,21)
InChIKeyRQXWUUJUTZRCMD-UHFFFAOYSA-N
XLogP1.77
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide (CID 167919391) is N-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide is CNC(=O)c1ccc(N(C)C(C)c2ccc(S(C)=O)cc2)nn1.
What is the InChIKey of N-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide?
The InChIKey is RQXWUUJUTZRCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2S/c1-11(12-5-7-13(8-6-12)23(4)22)20(3)15-10-9-14(18-19-15)16(21)17-2/h5-11H,1-4H3,(H,17,21).
What are the key properties of N-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide?
N-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide has a molecular weight of 332.43 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[methyl-[1-(4-methylsulfinylphenyl)ethyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 167919391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).