6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C23H18F6N4O5 — CID 46902901

IUPAC6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(NC(=O)c2ccc(N)nc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H17F3N4O3.C2HF3O2/c1-31-17-8-13(20(30)27-15-4-2-3-14(9-15)21(22,23)24)7-16(10-17)28-19(29)12-5-6-18(25)26-11-12;3-2(4,5)1(6)7/h2-11H,1H3,(H2,25,26)(H,27,30)(H,28,29);(H,6,7)
InChIKeyCQYHJLXIQGVXCK-UHFFFAOYSA-N
MW544.41 g/mol
LogP4.83
Rot. Bonds5

About 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 46902901) has the molecular formula C23H18F6N4O5 and a molecular weight of 544.41 g/mol. Its IUPAC name is 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
PubChem CID46902901
Molecular FormulaC23H18F6N4O5
Molecular Weight544.41 g/mol
Exact Mass544.12
IUPAC Name6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
SMILESCOc1cc(NC(=O)c2ccc(N)nc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.O=C(O)C(F)(F)F
InChIInChI=1S/C21H17F3N4O3.C2HF3O2/c1-31-17-8-13(20(30)27-15-4-2-3-14(9-15)21(22,23)24)7-16(10-17)28-19(29)12-5-6-18(25)26-11-12;3-2(4,5)1(6)7/h2-11H,1H3,(H2,25,26)(H,27,30)(H,28,29);(H,6,7)
InChIKeyCQYHJLXIQGVXCK-UHFFFAOYSA-N
XLogP4.83
TPSA143.64 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500544.41
LogP ≤ 54.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid 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 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The IUPAC name of 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 46902901) is 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The canonical SMILES for 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is COc1cc(NC(=O)c2ccc(N)nc2)cc(C(=O)Nc2cccc(C(F)(F)F)c2)c1.O=C(O)C(F)(F)F.
What is the InChIKey of 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
The InChIKey is CQYHJLXIQGVXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N4O3.C2HF3O2/c1-31-17-8-13(20(30)27-15-4-2-3-14(9-15)21(22,23)24)7-16(10-17)28-19(29)12-5-6-18(25)26-11-12;3-2(4,5)1(6)7/h2-11H,1H3,(H2,25,26)(H,27,30)(H,28,29);(H,6,7).
What are the key properties of 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?
6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 544.41 g/mol, XLogP of 4.83, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[3-methoxy-5-[[3-(trifluoromethyl)phenyl]carbamoyl]phenyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 46902901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).