1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide

C12H13F3N4O3 — CID 47492056

IUPAC1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1
InChIInChI=1S/C12H13F3N4O3/c13-12(14,15)7-3-8(10(21)17-4-7)18-11(22)19-2-1-6(5-19)9(16)20/h3-4,6H,1-2,5H2,(H2,16,20)(H,17,21)(H,18,22)
InChIKeyNYAHTWHWUIEFQW-UHFFFAOYSA-N
MW318.26 g/mol
LogP0.73
Rot. Bonds2

About 1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide

1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide (PubChem CID 47492056) has the molecular formula C12H13F3N4O3 and a molecular weight of 318.26 g/mol. Its IUPAC name is 1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide.

Molecular Properties

Compound Name1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide
PubChem CID47492056
Molecular FormulaC12H13F3N4O3
Molecular Weight318.26 g/mol
Exact Mass318.09
IUPAC Name1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide
SMILESNC(=O)C1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1
InChIInChI=1S/C12H13F3N4O3/c13-12(14,15)7-3-8(10(21)17-4-7)18-11(22)19-2-1-6(5-19)9(16)20/h3-4,6H,1-2,5H2,(H2,16,20)(H,17,21)(H,18,22)
InChIKeyNYAHTWHWUIEFQW-UHFFFAOYSA-N
XLogP0.73
TPSA108.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.26
LogP ≤ 50.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide?
The IUPAC name of 1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide (CID 47492056) is 1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide.
What is the SMILES notation for 1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide?
The canonical SMILES for 1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide is NC(=O)C1CCN(C(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)C1.
What is the InChIKey of 1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide?
The InChIKey is NYAHTWHWUIEFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N4O3/c13-12(14,15)7-3-8(10(21)17-4-7)18-11(22)19-2-1-6(5-19)9(16)20/h3-4,6H,1-2,5H2,(H2,16,20)(H,17,21)(H,18,22).
What are the key properties of 1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide?
1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide has a molecular weight of 318.26 g/mol, XLogP of 0.73, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]pyrrolidine-1,3-dicarboxamide is sourced from PubChem (CID 47492056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).