1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C21H15Cl2F3N2O2 — CID 1482980

IUPAC1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C21H15Cl2F3N2O2/c22-17-5-2-6-18(23)16(17)12-28-11-14(7-8-19(28)29)20(30)27-10-13-3-1-4-15(9-13)21(24,25)26/h1-9,11H,10,12H2,(H,27,30)
InChIKeyJPPOJDCLGFQNFH-UHFFFAOYSA-N
MW455.26 g/mol
LogP5.15
Rot. Bonds5

About 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 1482980) has the molecular formula C21H15Cl2F3N2O2 and a molecular weight of 455.26 g/mol. Its IUPAC name is 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID1482980
Molecular FormulaC21H15Cl2F3N2O2
Molecular Weight455.26 g/mol
Exact Mass454.05
IUPAC Name1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1
InChIInChI=1S/C21H15Cl2F3N2O2/c22-17-5-2-6-18(23)16(17)12-28-11-14(7-8-19(28)29)20(30)27-10-13-3-1-4-15(9-13)21(24,25)26/h1-9,11H,10,12H2,(H,27,30)
InChIKeyJPPOJDCLGFQNFH-UHFFFAOYSA-N
XLogP5.15
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.26
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide 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 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 1482980) is 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is O=C(NCc1cccc(C(F)(F)F)c1)c1ccc(=O)n(Cc2c(Cl)cccc2Cl)c1.
What is the InChIKey of 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is JPPOJDCLGFQNFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15Cl2F3N2O2/c22-17-5-2-6-18(23)16(17)12-28-11-14(7-8-19(28)29)20(30)27-10-13-3-1-4-15(9-13)21(24,25)26/h1-9,11H,10,12H2,(H,27,30).
What are the key properties of 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 455.26 g/mol, XLogP of 5.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,6-dichlorophenyl)methyl]-6-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 1482980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).