6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

C16H15F3N2O2 — CID 27006412

IUPAC6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C16H15F3N2O2/c1-23-14-7-4-12(10-21-14)15(22)20-9-8-11-2-5-13(6-3-11)16(17,18)19/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyPDDIGRABQRPDFG-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.08
Rot. Bonds5

About 6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide

6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (PubChem CID 27006412) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
PubChem CID27006412
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cn1
InChIInChI=1S/C16H15F3N2O2/c1-23-14-7-4-12(10-21-14)15(22)20-9-8-11-2-5-13(6-3-11)16(17,18)19/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyPDDIGRABQRPDFG-UHFFFAOYSA-N
XLogP3.08
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-6-methoxypyridine-3-carboxamide
CID 27019140
6-methoxy-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 27548743
N-[2-(4-methoxyphenyl)ethyl]-4-(trifluoromethyl)benzamide
CID 2162417
4-(methoxymethyl)-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 30843162
6-methoxy-N-methyl-N-[[4-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 134031313
6-[(3R)-oxolan-3-yl]oxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 100731217
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
CID 27009221
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3-methyl-N-[2-[4-(trifluoromethyl)phenyl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176503834
6-methoxy-N-[2-(2-phenylethylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 33253802
2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 53152267
6-hydrazinyl-N-[2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 62237050

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide (CID 27006412) is 6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is COc1ccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cn1.
What is the InChIKey of 6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
The InChIKey is PDDIGRABQRPDFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-23-14-7-4-12(10-21-14)15(22)20-9-8-11-2-5-13(6-3-11)16(17,18)19/h2-7,10H,8-9H2,1H3,(H,20,22).
What are the key properties of 6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide?
6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide has a molecular weight of 324.30 g/mol, XLogP of 3.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 27006412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).