2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid

C16H15F3N2O2 — CID 67286940

IUPAC2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid
SMILESCc1nc(N(C)Cc2ccc(C(F)(F)F)cc2)ccc1C(=O)O
InChIInChI=1S/C16H15F3N2O2/c1-10-13(15(22)23)7-8-14(20-10)21(2)9-11-3-5-12(6-4-11)16(17,18)19/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyIQXWKTXLIXQSHC-UHFFFAOYSA-N
MW324.30 g/mol
LogP3.74
Rot. Bonds4

About 2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid

2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid (PubChem CID 67286940) has the molecular formula C16H15F3N2O2 and a molecular weight of 324.30 g/mol. Its IUPAC name is 2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid
PubChem CID67286940
Molecular FormulaC16H15F3N2O2
Molecular Weight324.30 g/mol
Exact Mass324.11
IUPAC Name2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid
SMILESCc1nc(N(C)Cc2ccc(C(F)(F)F)cc2)ccc1C(=O)O
InChIInChI=1S/C16H15F3N2O2/c1-10-13(15(22)23)7-8-14(20-10)21(2)9-11-3-5-12(6-4-11)16(17,18)19/h3-8H,9H2,1-2H3,(H,22,23)
InChIKeyIQXWKTXLIXQSHC-UHFFFAOYSA-N
XLogP3.74
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.30
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid (CID 67286940) is 2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid is Cc1nc(N(C)Cc2ccc(C(F)(F)F)cc2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is IQXWKTXLIXQSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3N2O2/c1-10-13(15(22)23)7-8-14(20-10)21(2)9-11-3-5-12(6-4-11)16(17,18)19/h3-8H,9H2,1-2H3,(H,22,23).
What are the key properties of 2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid?
2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 324.30 g/mol, XLogP of 3.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 67286940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).