2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide

C12H11F3N4O3 — CID 175898990

IUPAC2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide
SMILESNC(=O)C1CNC(=O)N1c1cc(C(F)(F)F)c2c(n1)OCC2
InChIInChI=1S/C12H11F3N4O3/c13-12(14,15)6-3-8(18-10-5(6)1-2-22-10)19-7(9(16)20)4-17-11(19)21/h3,7H,1-2,4H2,(H2,16,20)(H,17,21)
InChIKeyMPSIHTTVPFYSIK-UHFFFAOYSA-N
MW316.24 g/mol
LogP0.42
Rot. Bonds2

About 2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide

2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide (PubChem CID 175898990) has the molecular formula C12H11F3N4O3 and a molecular weight of 316.24 g/mol. Its IUPAC name is 2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide.

Molecular Properties

Compound Name2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide
PubChem CID175898990
Molecular FormulaC12H11F3N4O3
Molecular Weight316.24 g/mol
Exact Mass316.08
IUPAC Name2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide
SMILESNC(=O)C1CNC(=O)N1c1cc(C(F)(F)F)c2c(n1)OCC2
InChIInChI=1S/C12H11F3N4O3/c13-12(14,15)6-3-8(18-10-5(6)1-2-22-10)19-7(9(16)20)4-17-11(19)21/h3,7H,1-2,4H2,(H2,16,20)(H,17,21)
InChIKeyMPSIHTTVPFYSIK-UHFFFAOYSA-N
XLogP0.42
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.24
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide?
The IUPAC name of 2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide (CID 175898990) is 2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide.
What is the SMILES notation for 2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide?
The canonical SMILES for 2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide is NC(=O)C1CNC(=O)N1c1cc(C(F)(F)F)c2c(n1)OCC2.
What is the InChIKey of 2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide?
The InChIKey is MPSIHTTVPFYSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N4O3/c13-12(14,15)6-3-8(18-10-5(6)1-2-22-10)19-7(9(16)20)4-17-11(19)21/h3,7H,1-2,4H2,(H2,16,20)(H,17,21).
What are the key properties of 2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide?
2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide has a molecular weight of 316.24 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-3-[4-(trifluoromethyl)-2,3-dihydrofuro[2,3-b]pyridin-6-yl]imidazolidine-4-carboxamide is sourced from PubChem (CID 175898990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).