[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate

C20H20F3N3O4 — CID 41139711

IUPAC[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NC[C@H]1CCCO1
InChIInChI=1S/C20H20F3N3O4/c21-20(22,23)13-4-1-5-14(10-13)26-18-16(7-2-8-24-18)19(28)30-12-17(27)25-11-15-6-3-9-29-15/h1-2,4-5,7-8,10,15H,3,6,9,11-12H2,(H,24,26)(H,25,27)/t15-/m1/s1
InChIKeyMVEPIBJLYUDXQF-OAHLLOKOSA-N
MW423.39 g/mol
LogP3.30
Rot. Bonds7

About [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate

[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate (PubChem CID 41139711) has the molecular formula C20H20F3N3O4 and a molecular weight of 423.39 g/mol. Its IUPAC name is [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
PubChem CID41139711
Molecular FormulaC20H20F3N3O4
Molecular Weight423.39 g/mol
Exact Mass423.14
IUPAC Name[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
SMILESO=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NC[C@H]1CCCO1
InChIInChI=1S/C20H20F3N3O4/c21-20(22,23)13-4-1-5-14(10-13)26-18-16(7-2-8-24-18)19(28)30-12-17(27)25-11-15-6-3-9-29-15/h1-2,4-5,7-8,10,15H,3,6,9,11-12H2,(H,24,26)(H,25,27)/t15-/m1/s1
InChIKeyMVEPIBJLYUDXQF-OAHLLOKOSA-N
XLogP3.30
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.39
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate with MolForge

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Related Compounds

[2-(ethylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2365493
[2-(tert-butylamino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2363934
[2-(4-acetylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2373171
N'-(oxolane-2-carbonyl)-2-[3-(trifluoromethyl)anilino]pyridine-3-carbohydrazide
CID 86985917
[2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2342491
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2998344
[2-(2-ethoxycarbonylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 2373172
[2-(3-cyanoanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 3492575
[2-oxo-2-(4-phenylbutan-2-ylamino)ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 3413585
N-(oxolan-2-ylmethyl)-6-[3-(trifluoromethyl)anilino]pyridazine-3-carboxamide
CID 109115094
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] naphthalene-1-carboxylate
CID 2436180
2,2-dimethylpropanoyloxymethyl 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate
CID 12673423

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate?
The IUPAC name of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate (CID 41139711) is [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate.
What is the SMILES notation for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate?
The canonical SMILES for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate is O=C(COC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1)NC[C@H]1CCCO1.
What is the InChIKey of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate?
The InChIKey is MVEPIBJLYUDXQF-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H20F3N3O4/c21-20(22,23)13-4-1-5-14(10-13)26-18-16(7-2-8-24-18)19(28)30-12-17(27)25-11-15-6-3-9-29-15/h1-2,4-5,7-8,10,15H,3,6,9,11-12H2,(H,24,26)(H,25,27)/t15-/m1/s1.
What are the key properties of [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate?
[2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate has a molecular weight of 423.39 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-[[(2R)-oxolan-2-yl]methylamino]ethyl] 2-[3-(trifluoromethyl)anilino]pyridine-3-carboxylate is sourced from PubChem (CID 41139711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).