N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide

C21H24F3N3O2 — CID 123175633

IUPACN-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide
SMILESCCNC(=O)C(C)c1ccc(OC2CCN(c3cccc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C21H24F3N3O2/c1-3-25-20(28)14(2)15-7-9-16(10-8-15)29-17-11-12-27(13-17)19-6-4-5-18(26-19)21(22,23)24/h4-10,14,17H,3,11-13H2,1-2H3,(H,25,28)
InChIKeyIWPQXLPVRVLKEQ-UHFFFAOYSA-N
MW407.44 g/mol
LogP4.00
Rot. Bonds6

About N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide

N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide (PubChem CID 123175633) has the molecular formula C21H24F3N3O2 and a molecular weight of 407.44 g/mol. Its IUPAC name is N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide
PubChem CID123175633
Molecular FormulaC21H24F3N3O2
Molecular Weight407.44 g/mol
Exact Mass407.18
IUPAC NameN-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide
SMILESCCNC(=O)C(C)c1ccc(OC2CCN(c3cccc(C(F)(F)F)n3)C2)cc1
InChIInChI=1S/C21H24F3N3O2/c1-3-25-20(28)14(2)15-7-9-16(10-8-15)29-17-11-12-27(13-17)19-6-4-5-18(26-19)21(22,23)24/h4-10,14,17H,3,11-13H2,1-2H3,(H,25,28)
InChIKeyIWPQXLPVRVLKEQ-UHFFFAOYSA-N
XLogP4.00
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide?
The IUPAC name of N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide (CID 123175633) is N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide.
What is the SMILES notation for N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide?
The canonical SMILES for N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide is CCNC(=O)C(C)c1ccc(OC2CCN(c3cccc(C(F)(F)F)n3)C2)cc1.
What is the InChIKey of N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide?
The InChIKey is IWPQXLPVRVLKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N3O2/c1-3-25-20(28)14(2)15-7-9-16(10-8-15)29-17-11-12-27(13-17)19-6-4-5-18(26-19)21(22,23)24/h4-10,14,17H,3,11-13H2,1-2H3,(H,25,28).
What are the key properties of N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide?
N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide has a molecular weight of 407.44 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-[1-[6-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]oxyphenyl]propanamide is sourced from PubChem (CID 123175633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).