N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide

C19H20N6O3S — CID 75201851

IUPACN-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(C)nn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C19H20N6O3S/c1-12-8-9-17(25-24-12)23-18-10-15(13(11-21-18)19(26)20-2)22-14-6-4-5-7-16(14)29(3,27)28/h4-11H,1-3H3,(H,20,26)(H2,21,22,23,25)
InChIKeyJKRWCQHQAJZOHK-UHFFFAOYSA-N
MW412.48 g/mol
LogP2.43
Rot. Bonds6

About N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide

N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide (PubChem CID 75201851) has the molecular formula C19H20N6O3S and a molecular weight of 412.48 g/mol. Its IUPAC name is N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
PubChem CID75201851
Molecular FormulaC19H20N6O3S
Molecular Weight412.48 g/mol
Exact Mass412.13
IUPAC NameN-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccc(C)nn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C19H20N6O3S/c1-12-8-9-17(25-24-12)23-18-10-15(13(11-21-18)19(26)20-2)22-14-6-4-5-7-16(14)29(3,27)28/h4-11H,1-3H3,(H,20,26)(H2,21,22,23,25)
InChIKeyJKRWCQHQAJZOHK-UHFFFAOYSA-N
XLogP2.43
TPSA125.97 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.48
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
The IUPAC name of N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide (CID 75201851) is N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccc(C)nn2)cc1Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
The InChIKey is JKRWCQHQAJZOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O3S/c1-12-8-9-17(25-24-12)23-18-10-15(13(11-21-18)19(26)20-2)22-14-6-4-5-7-16(14)29(3,27)28/h4-11H,1-3H3,(H,20,26)(H2,21,22,23,25).
What are the key properties of N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide?
N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide has a molecular weight of 412.48 g/mol, XLogP of 2.43, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(6-methylpyridazin-3-yl)amino]-4-(2-methylsulfonylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 75201851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).