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

C14H16F3N3O3 — CID 94819270

IUPAC2-oxo-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC[C@@H](CN1CCCC1=O)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H16F3N3O3/c1-8(7-20-6-2-3-11(20)21)18-12(22)9-4-5-10(14(15,16)17)19-13(9)23/h4-5,8H,2-3,6-7H2,1H3,(H,18,22)(H,19,23)/t8-/m0/s1
InChIKeyPPNWSAOXSGGXSI-QMMMGPOBSA-N
MW331.29 g/mol
LogP1.13
Rot. Bonds4

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

2-oxo-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (PubChem CID 94819270) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is 2-oxo-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
PubChem CID94819270
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC Name2-oxo-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
SMILESC[C@@H](CN1CCCC1=O)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O
InChIInChI=1S/C14H16F3N3O3/c1-8(7-20-6-2-3-11(20)21)18-12(22)9-4-5-10(14(15,16)17)19-13(9)23/h4-5,8H,2-3,6-7H2,1H3,(H,18,22)(H,19,23)/t8-/m0/s1
InChIKeyPPNWSAOXSGGXSI-QMMMGPOBSA-N
XLogP1.13
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The IUPAC name of 2-oxo-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide (CID 94819270) is 2-oxo-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is C[C@@H](CN1CCCC1=O)NC(=O)c1ccc(C(F)(F)F)[nH]c1=O.
What is the InChIKey of 2-oxo-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
The InChIKey is PPNWSAOXSGGXSI-QMMMGPOBSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-8(7-20-6-2-3-11(20)21)18-12(22)9-4-5-10(14(15,16)17)19-13(9)23/h4-5,8H,2-3,6-7H2,1H3,(H,18,22)(H,19,23)/t8-/m0/s1.
What are the key properties of 2-oxo-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide?
2-oxo-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide has a molecular weight of 331.29 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]-6-(trifluoromethyl)-1H-pyridine-3-carboxamide is sourced from PubChem (CID 94819270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).