N-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide

C26H24F3N5O4S — CID 130203237

IUPACN-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide
SMILESCC1=CC(C)(C)N(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3cccc(OC(F)(F)F)c3)n2)C=C1
InChIInChI=1S/C26H24F3N5O4S/c1-17-12-14-34(25(2,3)16-17)23-20(9-6-13-30-23)24(35)33-39(36,37)22-11-5-10-21(32-22)31-18-7-4-8-19(15-18)38-26(27,28)29/h4-16H,1-3H3,(H,31,32)(H,33,35)
InChIKeyZVPNVAHTFHTMNT-UHFFFAOYSA-N
MW559.57 g/mol
LogP5.30
Rot. Bonds7

About N-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide

N-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide (PubChem CID 130203237) has the molecular formula C26H24F3N5O4S and a molecular weight of 559.57 g/mol. Its IUPAC name is N-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide
PubChem CID130203237
Molecular FormulaC26H24F3N5O4S
Molecular Weight559.57 g/mol
Exact Mass559.15
IUPAC NameN-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide
SMILESCC1=CC(C)(C)N(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3cccc(OC(F)(F)F)c3)n2)C=C1
InChIInChI=1S/C26H24F3N5O4S/c1-17-12-14-34(25(2,3)16-17)23-20(9-6-13-30-23)24(35)33-39(36,37)22-11-5-10-21(32-22)31-18-7-4-8-19(15-18)38-26(27,28)29/h4-16H,1-3H3,(H,31,32)(H,33,35)
InChIKeyZVPNVAHTFHTMNT-UHFFFAOYSA-N
XLogP5.30
TPSA113.52 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500559.57
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide?
The IUPAC name of N-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide (CID 130203237) is N-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide?
The canonical SMILES for N-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide is CC1=CC(C)(C)N(c2ncccc2C(=O)NS(=O)(=O)c2cccc(Nc3cccc(OC(F)(F)F)c3)n2)C=C1.
What is the InChIKey of N-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide?
The InChIKey is ZVPNVAHTFHTMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24F3N5O4S/c1-17-12-14-34(25(2,3)16-17)23-20(9-6-13-30-23)24(35)33-39(36,37)22-11-5-10-21(32-22)31-18-7-4-8-19(15-18)38-26(27,28)29/h4-16H,1-3H3,(H,31,32)(H,33,35).
What are the key properties of N-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide?
N-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide has a molecular weight of 559.57 g/mol, XLogP of 5.30, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[3-(trifluoromethoxy)anilino]-2-pyridinyl]sulfonyl]-2-(2,2,4-trimethyl-1-pyridinyl)pyridine-3-carboxamide is sourced from PubChem (CID 130203237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).