trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide

C14H11F3N2O3 — CID 95977225

IUPACtrans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C14H11F3N2O3/c15-14(16,17)7-4-10(13(21)18-6-7)19-12(20)9-5-8(9)11-2-1-3-22-11/h1-4,6,8-9H,5H2,(H,18,21)(H,19,20)/t8-,9-/m1/s1
InChIKeyZWUJIYRFWZTEPS-RKDXNWHRSA-N
MW312.25 g/mol
LogP2.73
Rot. Bonds3

About trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide

trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide (PubChem CID 95977225) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide
PubChem CID95977225
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Nametrans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide
SMILESO=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1C[C@H]1c1ccco1
InChIInChI=1S/C14H11F3N2O3/c15-14(16,17)7-4-10(13(21)18-6-7)19-12(20)9-5-8(9)11-2-1-3-22-11/h1-4,6,8-9H,5H2,(H,18,21)(H,19,20)/t8-,9-/m1/s1
InChIKeyZWUJIYRFWZTEPS-RKDXNWHRSA-N
XLogP2.73
TPSA75.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide (CID 95977225) is trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide is O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1C[C@H]1c1ccco1.
What is the InChIKey of trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide?
The InChIKey is ZWUJIYRFWZTEPS-RKDXNWHRSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c15-14(16,17)7-4-10(13(21)18-6-7)19-12(20)9-5-8(9)11-2-1-3-22-11/h1-4,6,8-9H,5H2,(H,18,21)(H,19,20)/t8-,9-/m1/s1.
What are the key properties of trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide?
trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 312.25 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-(furan-2-yl)-N-[2-oxo-5-(trifluoromethyl)-1H-pyridin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 95977225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).