N-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide

C19H16F3N5O3S — CID 118302642

IUPACN-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)c2)ccn1
InChIInChI=1S/C19H16F3N5O3S/c1-11-16(27-31(29,30)15-3-4-17(25-10-15)19(20,21)22)7-14(9-24-11)13-5-6-23-18(8-13)26-12(2)28/h3-10,27H,1-2H3,(H,23,26,28)
InChIKeyMIGJORRIDLXONW-UHFFFAOYSA-N
MW451.43 g/mol
LogP3.63
Rot. Bonds5

About N-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide

N-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide (PubChem CID 118302642) has the molecular formula C19H16F3N5O3S and a molecular weight of 451.43 g/mol. Its IUPAC name is N-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide
PubChem CID118302642
Molecular FormulaC19H16F3N5O3S
Molecular Weight451.43 g/mol
Exact Mass451.09
IUPAC NameN-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)c2)ccn1
InChIInChI=1S/C19H16F3N5O3S/c1-11-16(27-31(29,30)15-3-4-17(25-10-15)19(20,21)22)7-14(9-24-11)13-5-6-23-18(8-13)26-12(2)28/h3-10,27H,1-2H3,(H,23,26,28)
InChIKeyMIGJORRIDLXONW-UHFFFAOYSA-N
XLogP3.63
TPSA113.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.43
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide (CID 118302642) is N-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide is CC(=O)Nc1cc(-c2cnc(C)c(NS(=O)(=O)c3ccc(C(F)(F)F)nc3)c2)ccn1.
What is the InChIKey of N-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
The InChIKey is MIGJORRIDLXONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3S/c1-11-16(27-31(29,30)15-3-4-17(25-10-15)19(20,21)22)7-14(9-24-11)13-5-6-23-18(8-13)26-12(2)28/h3-10,27H,1-2H3,(H,23,26,28).
What are the key properties of N-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide?
N-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide has a molecular weight of 451.43 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[6-methyl-5-[[6-(trifluoromethyl)-3-pyridinyl]sulfonylamino]-3-pyridinyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 118302642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).