6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

C16H16F3N3O2S — CID 175301660

IUPAC6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
SMILESCN(CCO)c1ccc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cn1
InChIInChI=1S/C16H16F3N3O2S/c1-22(8-9-23)14-7-2-11(10-20-14)15(24)21-12-3-5-13(6-4-12)25-16(17,18)19/h2-7,10,23H,8-9H2,1H3,(H,21,24)
InChIKeyVMKVKTFVWFXCME-UHFFFAOYSA-N
MW371.38 g/mol
LogP3.37
Rot. Bonds6

About 6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide

6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (PubChem CID 175301660) has the molecular formula C16H16F3N3O2S and a molecular weight of 371.38 g/mol. Its IUPAC name is 6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
PubChem CID175301660
Molecular FormulaC16H16F3N3O2S
Molecular Weight371.38 g/mol
Exact Mass371.09
IUPAC Name6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide
SMILESCN(CCO)c1ccc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cn1
InChIInChI=1S/C16H16F3N3O2S/c1-22(8-9-23)14-7-2-11(10-20-14)15(24)21-12-3-5-13(6-4-12)25-16(17,18)19/h2-7,10,23H,8-9H2,1H3,(H,21,24)
InChIKeyVMKVKTFVWFXCME-UHFFFAOYSA-N
XLogP3.37
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.38
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide (CID 175301660) is 6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide is CN(CCO)c1ccc(C(=O)Nc2ccc(SC(F)(F)F)cc2)cn1.
What is the InChIKey of 6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
The InChIKey is VMKVKTFVWFXCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F3N3O2S/c1-22(8-9-23)14-7-2-11(10-20-14)15(24)21-12-3-5-13(6-4-12)25-16(17,18)19/h2-7,10,23H,8-9H2,1H3,(H,21,24).
What are the key properties of 6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide?
6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide has a molecular weight of 371.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-hydroxyethyl(methyl)amino]-N-[4-(trifluoromethylsulfanyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 175301660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).