N-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide

C24H23N5O3S — CID 90870648

IUPACN-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
SMILESCOc1cccc(C(Cc2cccc(NS(C)(=O)=O)n2)(c2cccnc2)c2ccccn2)n1
InChIInChI=1S/C24H23N5O3S/c1-32-23-13-6-11-21(28-23)24(18-8-7-14-25-17-18,20-10-3-4-15-26-20)16-19-9-5-12-22(27-19)29-33(2,30)31/h3-15,17H,16H2,1-2H3,(H,27,29)
InChIKeyMLXUPAHLIXSZPT-UHFFFAOYSA-N
MW461.55 g/mol
LogP3.22
Rot. Bonds8

About N-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide

N-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide (PubChem CID 90870648) has the molecular formula C24H23N5O3S and a molecular weight of 461.55 g/mol. Its IUPAC name is N-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
PubChem CID90870648
Molecular FormulaC24H23N5O3S
Molecular Weight461.55 g/mol
Exact Mass461.15
IUPAC NameN-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
SMILESCOc1cccc(C(Cc2cccc(NS(C)(=O)=O)n2)(c2cccnc2)c2ccccn2)n1
InChIInChI=1S/C24H23N5O3S/c1-32-23-13-6-11-21(28-23)24(18-8-7-14-25-17-18,20-10-3-4-15-26-20)16-19-9-5-12-22(27-19)29-33(2,30)31/h3-15,17H,16H2,1-2H3,(H,27,29)
InChIKeyMLXUPAHLIXSZPT-UHFFFAOYSA-N
XLogP3.22
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.55
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide (CID 90870648) is N-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide is COc1cccc(C(Cc2cccc(NS(C)(=O)=O)n2)(c2cccnc2)c2ccccn2)n1.
What is the InChIKey of N-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is MLXUPAHLIXSZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3S/c1-32-23-13-6-11-21(28-23)24(18-8-7-14-25-17-18,20-10-3-4-15-26-20)16-19-9-5-12-22(27-19)29-33(2,30)31/h3-15,17H,16H2,1-2H3,(H,27,29).
What are the key properties of N-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
N-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 461.55 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(6-methoxy-2-pyridinyl)-2-pyridin-2-yl-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 90870648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).