N-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide

C19H20N4OS — CID 133339940

IUPACN-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(Cc2ccccc2)c2sccc2C)nn1
InChIInChI=1S/C19H20N4OS/c1-13-10-11-25-18(13)16(12-14-6-4-3-5-7-14)21-17-9-8-15(22-23-17)19(24)20-2/h3-11,16H,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyBXGJKMIVMRUCFT-UHFFFAOYSA-N
MW352.46 g/mol
LogP3.60
Rot. Bonds6

About N-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide

N-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide (PubChem CID 133339940) has the molecular formula C19H20N4OS and a molecular weight of 352.46 g/mol. Its IUPAC name is N-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide
PubChem CID133339940
Molecular FormulaC19H20N4OS
Molecular Weight352.46 g/mol
Exact Mass352.14
IUPAC NameN-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide
SMILESCNC(=O)c1ccc(NC(Cc2ccccc2)c2sccc2C)nn1
InChIInChI=1S/C19H20N4OS/c1-13-10-11-25-18(13)16(12-14-6-4-3-5-7-14)21-17-9-8-15(22-23-17)19(24)20-2/h3-11,16H,12H2,1-2H3,(H,20,24)(H,21,23)
InChIKeyBXGJKMIVMRUCFT-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 ≤ 500352.46
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide?
The IUPAC name of N-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide (CID 133339940) is N-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide?
The canonical SMILES for N-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide is CNC(=O)c1ccc(NC(Cc2ccccc2)c2sccc2C)nn1.
What is the InChIKey of N-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide?
The InChIKey is BXGJKMIVMRUCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4OS/c1-13-10-11-25-18(13)16(12-14-6-4-3-5-7-14)21-17-9-8-15(22-23-17)19(24)20-2/h3-11,16H,12H2,1-2H3,(H,20,24)(H,21,23).
What are the key properties of N-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide?
N-methyl-6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide has a molecular weight of 352.46 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-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 133339940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).