5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine

C24H22N4O3S — CID 11247832

IUPAC5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine
SMILESCCOc1cc(-c2cncc(S(=O)(=O)c3ccccc3)c2)cnc1Nc1cccc(C)n1
InChIInChI=1S/C24H22N4O3S/c1-3-31-22-13-19(15-26-24(22)28-23-11-7-8-17(2)27-23)18-12-21(16-25-14-18)32(29,30)20-9-5-4-6-10-20/h4-16H,3H2,1-2H3,(H,26,27,28)
InChIKeyGTGRPHAAMQMTRZ-UHFFFAOYSA-N
MW446.53 g/mol
LogP4.82
Rot. Bonds7

About 5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine

5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine (PubChem CID 11247832) has the molecular formula C24H22N4O3S and a molecular weight of 446.53 g/mol. Its IUPAC name is 5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine.

Molecular Properties

Compound Name5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine
PubChem CID11247832
Molecular FormulaC24H22N4O3S
Molecular Weight446.53 g/mol
Exact Mass446.14
IUPAC Name5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine
SMILESCCOc1cc(-c2cncc(S(=O)(=O)c3ccccc3)c2)cnc1Nc1cccc(C)n1
InChIInChI=1S/C24H22N4O3S/c1-3-31-22-13-19(15-26-24(22)28-23-11-7-8-17(2)27-23)18-12-21(16-25-14-18)32(29,30)20-9-5-4-6-10-20/h4-16H,3H2,1-2H3,(H,26,27,28)
InChIKeyGTGRPHAAMQMTRZ-UHFFFAOYSA-N
XLogP4.82
TPSA94.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.53
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The IUPAC name of 5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine (CID 11247832) is 5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine.
What is the SMILES notation for 5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The canonical SMILES for 5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine is CCOc1cc(-c2cncc(S(=O)(=O)c3ccccc3)c2)cnc1Nc1cccc(C)n1.
What is the InChIKey of 5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
The InChIKey is GTGRPHAAMQMTRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O3S/c1-3-31-22-13-19(15-26-24(22)28-23-11-7-8-17(2)27-23)18-12-21(16-25-14-18)32(29,30)20-9-5-4-6-10-20/h4-16H,3H2,1-2H3,(H,26,27,28).
What are the key properties of 5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine?
5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine has a molecular weight of 446.53 g/mol, XLogP of 4.82, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(benzenesulfonyl)-3-pyridinyl]-3-ethoxy-N-(6-methyl-2-pyridinyl)pyridin-2-amine is sourced from PubChem (CID 11247832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).