ethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate

C20H23F3N2O2 — CID 166440961

IUPACethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC[C@@H](CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C20H23F3N2O2/c1-2-27-19(26)17-9-6-13-24-18(17)25-14-12-16(20(21,22)23)11-10-15-7-4-3-5-8-15/h3-9,13,16H,2,10-12,14H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyOSHYZZODPXFJTO-MRXNPFEDSA-N
MW380.41 g/mol
LogP4.87
Rot. Bonds9

About ethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate

ethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate (PubChem CID 166440961) has the molecular formula C20H23F3N2O2 and a molecular weight of 380.41 g/mol. Its IUPAC name is ethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate
PubChem CID166440961
Molecular FormulaC20H23F3N2O2
Molecular Weight380.41 g/mol
Exact Mass380.17
IUPAC Nameethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC[C@@H](CCc1ccccc1)C(F)(F)F
InChIInChI=1S/C20H23F3N2O2/c1-2-27-19(26)17-9-6-13-24-18(17)25-14-12-16(20(21,22)23)11-10-15-7-4-3-5-8-15/h3-9,13,16H,2,10-12,14H2,1H3,(H,24,25)/t16-/m1/s1
InChIKeyOSHYZZODPXFJTO-MRXNPFEDSA-N
XLogP4.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.41
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate (CID 166440961) is ethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCC[C@@H](CCc1ccccc1)C(F)(F)F.
What is the InChIKey of ethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate?
The InChIKey is OSHYZZODPXFJTO-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23F3N2O2/c1-2-27-19(26)17-9-6-13-24-18(17)25-14-12-16(20(21,22)23)11-10-15-7-4-3-5-8-15/h3-9,13,16H,2,10-12,14H2,1H3,(H,24,25)/t16-/m1/s1.
What are the key properties of ethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate?
ethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate has a molecular weight of 380.41 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[(3R)-5-phenyl-3-(trifluoromethyl)pentyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 166440961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).