6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

C15H13F3N2O2 — CID 27009221

IUPAC6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C15H13F3N2O2/c1-22-13-6-5-11(9-19-13)14(21)20-8-10-3-2-4-12(7-10)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyVUNFCAUVNVWZIR-UHFFFAOYSA-N
MW310.28 g/mol
LogP3.04
Rot. Bonds4

About 6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide

6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (PubChem CID 27009221) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.28 g/mol. Its IUPAC name is 6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
PubChem CID27009221
Molecular FormulaC15H13F3N2O2
Molecular Weight310.28 g/mol
Exact Mass310.09
IUPAC Name6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide
SMILESCOc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cn1
InChIInChI=1S/C15H13F3N2O2/c1-22-13-6-5-11(9-19-13)14(21)20-8-10-3-2-4-12(7-10)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21)
InChIKeyVUNFCAUVNVWZIR-UHFFFAOYSA-N
XLogP3.04
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.28
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-(hydroxymethyl)phenyl]methyl]-6-methoxypyridine-3-carboxamide
CID 63310970
3-(2-hydroxyethoxy)-4-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 55734454
6-methoxy-N-[2-[4-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 27006412
2-pyridin-4-yl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 74246545
4-sulfanyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 107020234
4-(dimethylamino)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 27515025
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
1-N,4-N-bis[(6-methoxy-3-pyridinyl)methyl]benzene-1,4-dicarboxamide
CID 24646071
3-amino-4-propoxy-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 110496645
N-[[3-(trifluoromethyl)phenyl]methyl]quinoline-6-carboxamide
CID 59192094
4-[(E)-3-methylbut-1-enyl]-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 59811276
N-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)benzamide
CID 4149542

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide (CID 27009221) is 6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is COc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cn1.
What is the InChIKey of 6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
The InChIKey is VUNFCAUVNVWZIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c1-22-13-6-5-11(9-19-13)14(21)20-8-10-3-2-4-12(7-10)15(16,17)18/h2-7,9H,8H2,1H3,(H,20,21).
What are the key properties of 6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide?
6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide has a molecular weight of 310.28 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[[3-(trifluoromethyl)phenyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 27009221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).