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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Related Compounds

6-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133346016
N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 56793656
6-methyl-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]pyrazin-2-amine
CID 133471560
(2R)-2-amino-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]propanamide
CID 119328368
N-methyl-6-(1-pyridin-4-ylpropylamino)pyridazine-3-carboxamide
CID 133340260
4-[[1-(3-methylthiophen-2-yl)-2-phenylethyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120673728
2-(cyclopropylmethylamino)-N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]acetamide;hydrochloride
CID 119792182
6-[[1-(furan-2-yl)-3-hydroxypropyl]amino]-N-methylpyridazine-3-carboxamide
CID 133490799
N-[1-(3-methylthiophen-2-yl)-2-phenylethyl]-1H-pyrrolo[3,2-c]pyridine-4-carboxamide
CID 166294961
6-[[(2R)-1-hydroxybutan-2-yl]amino]-N-methylpyridazine-3-carboxamide
CID 133434733
N-methyl-6-(6-methylheptan-2-ylamino)pyridazine-3-carboxamide
CID 79207194
N-methyl-6-(1-pyridin-2-ylethylamino)pyridazine-3-carboxamide
CID 79005908

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).