N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

C25H26F3N5O4S — CID 175514865

IUPACN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2nc(-c3cccc(OC(F)(F)F)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C
InChIInChI=1S/C25H26F3N5O4S/c1-15-12-13-33(24(15,2)3)22-18(23(34)32-38(35,36)21-9-5-8-20(29)31-21)10-11-19(30-22)16-6-4-7-17(14-16)37-25(26,27)28/h4-11,14-15H,12-13H2,1-3H3,(H2,29,31)(H,32,34)
InChIKeyBWKFKNKSXKZMTI-UHFFFAOYSA-N
MW549.58 g/mol
LogP4.37
Rot. Bonds6

About N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide

N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (PubChem CID 175514865) has the molecular formula C25H26F3N5O4S and a molecular weight of 549.58 g/mol. Its IUPAC name is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
PubChem CID175514865
Molecular FormulaC25H26F3N5O4S
Molecular Weight549.58 g/mol
Exact Mass549.17
IUPAC NameN-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide
SMILESCC1CCN(c2nc(-c3cccc(OC(F)(F)F)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C
InChIInChI=1S/C25H26F3N5O4S/c1-15-12-13-33(24(15,2)3)22-18(23(34)32-38(35,36)21-9-5-8-20(29)31-21)10-11-19(30-22)16-6-4-7-17(14-16)37-25(26,27)28/h4-11,14-15H,12-13H2,1-3H3,(H2,29,31)(H,32,34)
InChIKeyBWKFKNKSXKZMTI-UHFFFAOYSA-N
XLogP4.37
TPSA127.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.58
LogP ≤ 54.37
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-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide (CID 175514865) is N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is CC1CCN(c2nc(-c3cccc(OC(F)(F)F)c3)ccc2C(=O)NS(=O)(=O)c2cccc(N)n2)C1(C)C.
What is the InChIKey of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
The InChIKey is BWKFKNKSXKZMTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N5O4S/c1-15-12-13-33(24(15,2)3)22-18(23(34)32-38(35,36)21-9-5-8-20(29)31-21)10-11-19(30-22)16-6-4-7-17(14-16)37-25(26,27)28/h4-11,14-15H,12-13H2,1-3H3,(H2,29,31)(H,32,34).
What are the key properties of N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide?
N-[(6-amino-2-pyridinyl)sulfonyl]-6-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide has a molecular weight of 549.58 g/mol, XLogP of 4.37, 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-[3-(trifluoromethoxy)phenyl]-2-(2,2,3-trimethylpyrrolidin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 175514865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).