6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C20H14ClF3N2O2 — CID 58639382

IUPAC6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C20H14ClF3N2O2/c1-28-18-9-5-14(21)10-16(18)17-8-2-12(11-25-17)19(27)26-15-6-3-13(4-7-15)20(22,23)24/h2-11H,1H3,(H,26,27)
InChIKeyVWBQLMUZSCOIML-UHFFFAOYSA-N
MW406.79 g/mol
LogP5.68
Rot. Bonds4

About 6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide

6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 58639382) has the molecular formula C20H14ClF3N2O2 and a molecular weight of 406.79 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
PubChem CID58639382
Molecular FormulaC20H14ClF3N2O2
Molecular Weight406.79 g/mol
Exact Mass406.07
IUPAC Name6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
SMILESCOc1ccc(Cl)cc1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C20H14ClF3N2O2/c1-28-18-9-5-14(21)10-16(18)17-8-2-12(11-25-17)19(27)26-15-6-3-13(4-7-15)20(22,23)24/h2-11H,1H3,(H,26,27)
InChIKeyVWBQLMUZSCOIML-UHFFFAOYSA-N
XLogP5.68
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.79
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 58639382) is 6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is COc1ccc(Cl)cc1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
The InChIKey is VWBQLMUZSCOIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClF3N2O2/c1-28-18-9-5-14(21)10-16(18)17-8-2-12(11-25-17)19(27)26-15-6-3-13(4-7-15)20(22,23)24/h2-11H,1H3,(H,26,27).
What are the key properties of 6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide?
6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 406.79 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(5-chloro-2-methoxyphenyl)-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 58639382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).