6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide

C13H16F3N3O2 — CID 61244305

IUPAC6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-19-4-3-9(7-19)5-18-12(21)10-1-2-11(20)17-6-10/h1-2,6,9H,3-5,7-8H2,(H,17,20)(H,18,21)
InChIKeySHGKFTIBKLPTJI-UHFFFAOYSA-N
MW303.28 g/mol
LogP0.99
Rot. Bonds4

About 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide

6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide (PubChem CID 61244305) has the molecular formula C13H16F3N3O2 and a molecular weight of 303.28 g/mol. Its IUPAC name is 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
PubChem CID61244305
Molecular FormulaC13H16F3N3O2
Molecular Weight303.28 g/mol
Exact Mass303.12
IUPAC Name6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide
SMILESO=C(NCC1CCN(CC(F)(F)F)C1)c1ccc(=O)[nH]c1
InChIInChI=1S/C13H16F3N3O2/c14-13(15,16)8-19-4-3-9(7-19)5-18-12(21)10-1-2-11(20)17-6-10/h1-2,6,9H,3-5,7-8H2,(H,17,20)(H,18,21)
InChIKeySHGKFTIBKLPTJI-UHFFFAOYSA-N
XLogP0.99
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.28
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The IUPAC name of 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide (CID 61244305) is 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide is O=C(NCC1CCN(CC(F)(F)F)C1)c1ccc(=O)[nH]c1.
What is the InChIKey of 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
The InChIKey is SHGKFTIBKLPTJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N3O2/c14-13(15,16)8-19-4-3-9(7-19)5-18-12(21)10-1-2-11(20)17-6-10/h1-2,6,9H,3-5,7-8H2,(H,17,20)(H,18,21).
What are the key properties of 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide?
6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide has a molecular weight of 303.28 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-1H-pyridine-3-carboxamide is sourced from PubChem (CID 61244305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).