N-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide

C21H23N3O5S — CID 118716164

IUPACN-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide
SMILESCOc1cc(-c2cc(-c3cccc(NS(C)(=O)=O)c3)cnc2N)cc(OC)c1OC
InChIInChI=1S/C21H23N3O5S/c1-27-18-10-14(11-19(28-2)20(18)29-3)17-9-15(12-23-21(17)22)13-6-5-7-16(8-13)24-30(4,25)26/h5-12,24H,1-4H3,(H2,22,23)
InChIKeyZPKLGSLFCKFOCY-UHFFFAOYSA-N
MW429.50 g/mol
LogP3.40
Rot. Bonds7

About N-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide

N-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide (PubChem CID 118716164) has the molecular formula C21H23N3O5S and a molecular weight of 429.50 g/mol. Its IUPAC name is N-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide
PubChem CID118716164
Molecular FormulaC21H23N3O5S
Molecular Weight429.50 g/mol
Exact Mass429.14
IUPAC NameN-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide
SMILESCOc1cc(-c2cc(-c3cccc(NS(C)(=O)=O)c3)cnc2N)cc(OC)c1OC
InChIInChI=1S/C21H23N3O5S/c1-27-18-10-14(11-19(28-2)20(18)29-3)17-9-15(12-23-21(17)22)13-6-5-7-16(8-13)24-30(4,25)26/h5-12,24H,1-4H3,(H2,22,23)
InChIKeyZPKLGSLFCKFOCY-UHFFFAOYSA-N
XLogP3.40
TPSA112.77 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

K02288
CID 46173038
N-(5-(2-Amino-5-(4-(piperazin-1-yl)phenyl)pyridin-3-yl)-2,3-dimethoxyphenyl)propane-1-sulfonamide
CID 134817211
4-(2-Amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)-2-methoxyphenol
CID 24822077
4-(2-Amino-5-(3,4,5-trimethoxyphenyl)pyridin-3-yl)phenol
CID 46229843
2,4-Bis(3,4,5-trimethoxyphenyl)pyridine
CID 90670570
5-(4-Piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 91933902
5-(3-Piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 118392555
3-(3,4-Dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118392566
4-[6-Amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]-2-methoxyphenol
CID 118392570
4-[6-Amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenol
CID 118392595
3-(3,5-Dimethoxyphenyl)-5-(4-piperazin-1-ylphenyl)pyridin-2-amine
CID 118716165
N-methyl-5-(4-piperazin-1-ylphenyl)-3-(3,4,5-trimethoxyphenyl)pyridin-2-amine
CID 118716167

Frequently Asked Questions

What is the IUPAC name of N-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide (CID 118716164) is N-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide is COc1cc(-c2cc(-c3cccc(NS(C)(=O)=O)c3)cnc2N)cc(OC)c1OC.
What is the InChIKey of N-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide?
The InChIKey is ZPKLGSLFCKFOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5S/c1-27-18-10-14(11-19(28-2)20(18)29-3)17-9-15(12-23-21(17)22)13-6-5-7-16(8-13)24-30(4,25)26/h5-12,24H,1-4H3,(H2,22,23).
What are the key properties of N-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide?
N-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide has a molecular weight of 429.50 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[6-amino-5-(3,4,5-trimethoxyphenyl)-3-pyridinyl]phenyl]methanesulfonamide is sourced from PubChem (CID 118716164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).