N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

C19H18F3N3O3 — CID 31959558

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)12-28-18-15(3-1-9-23-18)17(27)24-11-13-5-7-14(8-6-13)25-10-2-4-16(25)26/h1,3,5-9H,2,4,10-12H2,(H,24,27)
InChIKeyIMKMNFXJNDBKAN-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.08
Rot. Bonds6

About N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (PubChem CID 31959558) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
PubChem CID31959558
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cccnc1OCC(F)(F)F
InChIInChI=1S/C19H18F3N3O3/c20-19(21,22)12-28-18-15(3-1-9-23-18)17(27)24-11-13-5-7-14(8-6-13)25-10-2-4-16(25)26/h1,3,5-9H,2,4,10-12H2,(H,24,27)
InChIKeyIMKMNFXJNDBKAN-UHFFFAOYSA-N
XLogP3.08
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide (CID 31959558) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is O=C(NCc1ccc(N2CCCC2=O)cc1)c1cccnc1OCC(F)(F)F.
What is the InChIKey of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
The InChIKey is IMKMNFXJNDBKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c20-19(21,22)12-28-18-15(3-1-9-23-18)17(27)24-11-13-5-7-14(8-6-13)25-10-2-4-16(25)26/h1,3,5-9H,2,4,10-12H2,(H,24,27).
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide has a molecular weight of 393.37 g/mol, XLogP of 3.08, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-2-(2,2,2-trifluoroethoxy)pyridine-3-carboxamide is sourced from PubChem (CID 31959558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).