6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C21H17F3N2O3 — CID 58639370

IUPAC6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1cccc(OC)c1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C21H17F3N2O3/c1-28-17-4-3-5-18(29-2)19(17)16-11-6-13(12-25-16)20(27)26-15-9-7-14(8-10-15)21(22,23)24/h3-12H,1-2H3,(H,26,27)
InChIKeyPENFYHKGLAJAND-UHFFFAOYSA-N
MW402.37 g/mol
LogP5.04
Rot. Bonds5

About 6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 58639370) has the molecular formula C21H17F3N2O3 and a molecular weight of 402.37 g/mol. Its IUPAC name is 6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID58639370
Molecular FormulaC21H17F3N2O3
Molecular Weight402.37 g/mol
Exact Mass402.12
IUPAC Name6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1cccc(OC)c1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C21H17F3N2O3/c1-28-17-4-3-5-18(29-2)19(17)16-11-6-13(12-25-16)20(27)26-15-9-7-14(8-10-15)21(22,23)24/h3-12H,1-2H3,(H,26,27)
InChIKeyPENFYHKGLAJAND-UHFFFAOYSA-N
XLogP5.04
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.37
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 58639370) is 6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is COc1cccc(OC)c1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is PENFYHKGLAJAND-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N2O3/c1-28-17-4-3-5-18(29-2)19(17)16-11-6-13(12-25-16)20(27)26-15-9-7-14(8-10-15)21(22,23)24/h3-12H,1-2H3,(H,26,27).
What are the key properties of 6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 402.37 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 58639370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).