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

C24H22FN5O3S — CID 67012507

IUPACN-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
SMILESCOc1ccc(C(Cc2cccc(NS(C)(=O)=O)n2)(c2cccnc2)c2cccnc2F)cn1
InChIInChI=1S/C24H22FN5O3S/c1-33-22-11-10-18(16-28-22)24(17-6-4-12-26-15-17,20-8-5-13-27-23(20)25)14-19-7-3-9-21(29-19)30-34(2,31)32/h3-13,15-16H,14H2,1-2H3,(H,29,30)
InChIKeyVNWABBWBOLLPNM-UHFFFAOYSA-N
MW479.54 g/mol
LogP3.36
Rot. Bonds8

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

N-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide (PubChem CID 67012507) has the molecular formula C24H22FN5O3S and a molecular weight of 479.54 g/mol. Its IUPAC name is N-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
PubChem CID67012507
Molecular FormulaC24H22FN5O3S
Molecular Weight479.54 g/mol
Exact Mass479.14
IUPAC NameN-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide
SMILESCOc1ccc(C(Cc2cccc(NS(C)(=O)=O)n2)(c2cccnc2)c2cccnc2F)cn1
InChIInChI=1S/C24H22FN5O3S/c1-33-22-11-10-18(16-28-22)24(17-6-4-12-26-15-17,20-8-5-13-27-23(20)25)14-19-7-3-9-21(29-19)30-34(2,31)32/h3-13,15-16H,14H2,1-2H3,(H,29,30)
InChIKeyVNWABBWBOLLPNM-UHFFFAOYSA-N
XLogP3.36
TPSA106.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
The IUPAC name of N-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide (CID 67012507) is N-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide is COc1ccc(C(Cc2cccc(NS(C)(=O)=O)n2)(c2cccnc2)c2cccnc2F)cn1.
What is the InChIKey of N-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
The InChIKey is VNWABBWBOLLPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN5O3S/c1-33-22-11-10-18(16-28-22)24(17-6-4-12-26-15-17,20-8-5-13-27-23(20)25)14-19-7-3-9-21(29-19)30-34(2,31)32/h3-13,15-16H,14H2,1-2H3,(H,29,30).
What are the key properties of N-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide?
N-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide has a molecular weight of 479.54 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(2-fluoro-3-pyridinyl)-2-(6-methoxy-3-pyridinyl)-2-pyridin-3-ylethyl]-2-pyridinyl]methanesulfonamide is sourced from PubChem (CID 67012507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).