N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide

C20H19N5O3S — CID 67216303

IUPACN-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide
SMILESCOc1ccccc1Nc1nc2ccc(-c3cccc(NS(C)(=O)=O)c3)cn2n1
InChIInChI=1S/C20H19N5O3S/c1-28-18-9-4-3-8-17(18)21-20-22-19-11-10-15(13-25(19)23-20)14-6-5-7-16(12-14)24-29(2,26)27/h3-13,24H,1-2H3,(H,21,23)
InChIKeyANHIAPJLKSYEOS-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.52
Rot. Bonds6

About N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide

N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide (PubChem CID 67216303) has the molecular formula C20H19N5O3S and a molecular weight of 409.47 g/mol. Its IUPAC name is N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide
PubChem CID67216303
Molecular FormulaC20H19N5O3S
Molecular Weight409.47 g/mol
Exact Mass409.12
IUPAC NameN-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide
SMILESCOc1ccccc1Nc1nc2ccc(-c3cccc(NS(C)(=O)=O)c3)cn2n1
InChIInChI=1S/C20H19N5O3S/c1-28-18-9-4-3-8-17(18)21-20-22-19-11-10-15(13-25(19)23-20)14-6-5-7-16(12-14)24-29(2,26)27/h3-13,24H,1-2H3,(H,21,23)
InChIKeyANHIAPJLKSYEOS-UHFFFAOYSA-N
XLogP3.52
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide (CID 67216303) is N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide is COc1ccccc1Nc1nc2ccc(-c3cccc(NS(C)(=O)=O)c3)cn2n1.
What is the InChIKey of N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide?
The InChIKey is ANHIAPJLKSYEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O3S/c1-28-18-9-4-3-8-17(18)21-20-22-19-11-10-15(13-25(19)23-20)14-6-5-7-16(12-14)24-29(2,26)27/h3-13,24H,1-2H3,(H,21,23).
What are the key properties of N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide?
N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide has a molecular weight of 409.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 67216303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).