2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

C14H16F3N3O3 — CID 39888642

IUPAC2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)10-5-4-9(13(23)19-10)12(22)18-6-2-8-20-7-1-3-11(20)21/h4-5H,1-3,6-8H2,(H,18,22)(H,19,23)
InChIKeyCDKCEFIJMRTDML-UHFFFAOYSA-N
MW331.29 g/mol
LogP1.14
Rot. Bonds5

About 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide

2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 39888642) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID39888642
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESO=C(NCCCN1CCCC1=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H16F3N3O3/c15-14(16,17)10-5-4-9(13(23)19-10)12(22)18-6-2-8-20-7-1-3-11(20)21/h4-5H,1-3,6-8H2,(H,18,22)(H,19,23)
InChIKeyCDKCEFIJMRTDML-UHFFFAOYSA-N
XLogP1.14
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 39888642) is 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is O=C(NCCCN1CCCC1=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is CDKCEFIJMRTDML-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c15-14(16,17)10-5-4-9(13(23)19-10)12(22)18-6-2-8-20-7-1-3-11(20)21/h4-5H,1-3,6-8H2,(H,18,22)(H,19,23).
What are the key properties of 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 39888642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).