3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide

C19H18F3N3O3 — CID 166031124

IUPAC3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(O)c(C(=O)NC2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C19H18F3N3O3/c1-11-6-7-15(26)17(23-11)18(28)24-13-8-16(27)25(10-13)9-12-4-2-3-5-14(12)19(20,21)22/h2-7,13,26H,8-10H2,1H3,(H,24,28)
InChIKeyUJDFGEANMMYBKB-UHFFFAOYSA-N
MW393.37 g/mol
LogP2.65
Rot. Bonds4

About 3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide

3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide (PubChem CID 166031124) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide
PubChem CID166031124
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide
SMILESCc1ccc(O)c(C(=O)NC2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)n1
InChIInChI=1S/C19H18F3N3O3/c1-11-6-7-15(26)17(23-11)18(28)24-13-8-16(27)25(10-13)9-12-4-2-3-5-14(12)19(20,21)22/h2-7,13,26H,8-10H2,1H3,(H,24,28)
InChIKeyUJDFGEANMMYBKB-UHFFFAOYSA-N
XLogP2.65
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide (CID 166031124) is 3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide is Cc1ccc(O)c(C(=O)NC2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)n1.
What is the InChIKey of 3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
The InChIKey is UJDFGEANMMYBKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-11-6-7-15(26)17(23-11)18(28)24-13-8-16(27)25(10-13)9-12-4-2-3-5-14(12)19(20,21)22/h2-7,13,26H,8-10H2,1H3,(H,24,28).
What are the key properties of 3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide?
3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-N-[5-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 166031124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).