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

C26H22F3N5O4S — CID 121251095

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(trifluoromethyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3ccc(C(F)(F)F)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C26H22F3N5O4S/c1-14-11-15(2)23(16(3)12-14)38-25-18(24(35)34-39(36,37)22-6-4-5-21(30)33-22)8-9-19(32-25)17-7-10-20(31-13-17)26(27,28)29/h4-13H,1-3H3,(H2,30,33)(H,34,35)
InChIKeyYCBGEILRFBKFLY-UHFFFAOYSA-N
MW557.55 g/mol
LogP4.98
Rot. Bonds6

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

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(trifluoromethyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (PubChem CID 121251095) has the molecular formula C26H22F3N5O4S and a molecular weight of 557.55 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(trifluoromethyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(trifluoromethyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
PubChem CID121251095
Molecular FormulaC26H22F3N5O4S
Molecular Weight557.55 g/mol
Exact Mass557.13
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(trifluoromethyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide
SMILESCc1cc(C)c(Oc2nc(-c3ccc(C(F)(F)F)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1
InChIInChI=1S/C26H22F3N5O4S/c1-14-11-15(2)23(16(3)12-14)38-25-18(24(35)34-39(36,37)22-6-4-5-21(30)33-22)8-9-19(32-25)17-7-10-20(31-13-17)26(27,28)29/h4-13H,1-3H3,(H2,30,33)(H,34,35)
InChIKeyYCBGEILRFBKFLY-UHFFFAOYSA-N
XLogP4.98
TPSA137.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500557.55
LogP ≤ 54.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(trifluoromethyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(trifluoromethyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide (CID 121251095) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(trifluoromethyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(trifluoromethyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(trifluoromethyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is Cc1cc(C)c(Oc2nc(-c3ccc(C(F)(F)F)nc3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)c(C)c1.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(trifluoromethyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
The InChIKey is YCBGEILRFBKFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O4S/c1-14-11-15(2)23(16(3)12-14)38-25-18(24(35)34-39(36,37)22-6-4-5-21(30)33-22)8-9-19(32-25)17-7-10-20(31-13-17)26(27,28)29/h4-13H,1-3H3,(H2,30,33)(H,34,35).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(trifluoromethyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(trifluoromethyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide has a molecular weight of 557.55 g/mol, XLogP of 4.98, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[6-(trifluoromethyl)-3-pyridinyl]-2-(2,4,6-trimethylphenoxy)pyridine-3-carboxamide is sourced from PubChem (CID 121251095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).