N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

C18H19F3N2O4 — CID 2812189

IUPACN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccc(OCC(O)CNC(=O)c2ccc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C18H19F3N2O4/c1-11-15(7-8-16(23-11)18(19,20)21)17(25)22-9-12(24)10-27-14-5-3-13(26-2)4-6-14/h3-8,12,24H,9-10H2,1-2H3,(H,22,25)
InChIKeyMXIQLGOUQSGHGE-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.59
Rot. Bonds7

About N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide

N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (PubChem CID 2812189) has the molecular formula C18H19F3N2O4 and a molecular weight of 384.35 g/mol. Its IUPAC name is N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
PubChem CID2812189
Molecular FormulaC18H19F3N2O4
Molecular Weight384.35 g/mol
Exact Mass384.13
IUPAC NameN-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide
SMILESCOc1ccc(OCC(O)CNC(=O)c2ccc(C(F)(F)F)nc2C)cc1
InChIInChI=1S/C18H19F3N2O4/c1-11-15(7-8-16(23-11)18(19,20)21)17(25)22-9-12(24)10-27-14-5-3-13(26-2)4-6-14/h3-8,12,24H,9-10H2,1-2H3,(H,22,25)
InChIKeyMXIQLGOUQSGHGE-UHFFFAOYSA-N
XLogP2.59
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide (CID 2812189) is N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is COc1ccc(OCC(O)CNC(=O)c2ccc(C(F)(F)F)nc2C)cc1.
What is the InChIKey of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
The InChIKey is MXIQLGOUQSGHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4/c1-11-15(7-8-16(23-11)18(19,20)21)17(25)22-9-12(24)10-27-14-5-3-13(26-2)4-6-14/h3-8,12,24H,9-10H2,1-2H3,(H,22,25).
What are the key properties of N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide?
N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide has a molecular weight of 384.35 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(4-methoxyphenoxy)propyl]-2-methyl-6-(trifluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 2812189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).