N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide

C19H19N5O3S — CID 75201717

IUPACN-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
InChIKeyQXUQZMDJJGCZDT-UHFFFAOYSA-N
MW397.46 g/mol
LogP2.73
Rot. Bonds6

About N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide

N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide (PubChem CID 75201717) has the molecular formula C19H19N5O3S and a molecular weight of 397.46 g/mol. Its IUPAC name is N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
PubChem CID75201717
Molecular FormulaC19H19N5O3S
Molecular Weight397.46 g/mol
Exact Mass397.12
IUPAC NameN-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O
InChIInChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24)
InChIKeyQXUQZMDJJGCZDT-UHFFFAOYSA-N
XLogP2.73
TPSA113.08 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.46
LogP ≤ 52.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide (CID 75201717) is N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide is CNC(=O)c1cnc(Nc2ccccn2)cc1Nc1ccccc1S(C)(=O)=O.
What is the InChIKey of N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide?
The InChIKey is QXUQZMDJJGCZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3S/c1-20-19(25)13-12-22-18(24-17-9-5-6-10-21-17)11-15(13)23-14-7-3-4-8-16(14)28(2,26)27/h3-12H,1-2H3,(H,20,25)(H2,21,22,23,24).
What are the key properties of N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide?
N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide has a molecular weight of 397.46 g/mol, XLogP of 2.73, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(2-methylsulfonylanilino)-6-(pyridin-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 75201717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).