N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

C27H24F3N5O5S — CID 121251380

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3cccnc3OCC(F)(F)F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C27H24F3N5O5S/c1-15-12-16(2)23(17(3)13-15)40-26-19(24(36)35-41(37,38)22-8-4-7-21(31)34-22)9-10-20(33-26)18-6-5-11-32-25(18)39-14-27(28,29)30/h4-13H,14H2,1-3H3,(H2,31,34)(H,35,36)
InChIKeyFOPOVGHYCGNODJ-UHFFFAOYSA-N
MW587.58 g/mol
LogP4.90
Rot. Bonds8

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251380) has the molecular formula C27H24F3N5O5S and a molecular weight of 587.58 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121251380
Molecular FormulaC27H24F3N5O5S
Molecular Weight587.58 g/mol
Exact Mass587.15
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3cccnc3OCC(F)(F)F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C27H24F3N5O5S/c1-15-12-16(2)23(17(3)13-15)40-26-19(24(36)35-41(37,38)22-8-4-7-21(31)34-22)9-10-20(33-26)18-6-5-11-32-25(18)39-14-27(28,29)30/h4-13H,14H2,1-3H3,(H2,31,34)(H,35,36)
InChIKeyFOPOVGHYCGNODJ-UHFFFAOYSA-N
XLogP4.90
TPSA146.39 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500587.58
LogP ≤ 54.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121251380) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3cccnc3OCC(F)(F)F)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is FOPOVGHYCGNODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O5S/c1-15-12-16(2)23(17(3)13-15)40-26-19(24(36)35-41(37,38)22-8-4-7-21(31)34-22)9-10-20(33-26)18-6-5-11-32-25(18)39-14-27(28,29)30/h4-13H,14H2,1-3H3,(H2,31,34)(H,35,36).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 587.58 g/mol, XLogP of 4.90, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[2-(2,2,2-trifluoroethoxy)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).