(2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

C18H18F3N3O2 — CID 56741113

IUPAC(2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)[C@H]1CCCN1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)13-5-1-6-14(10-13)26-17-12(4-2-9-23-17)11-24-16(25)15-7-3-8-22-15/h1-2,4-6,9-10,15,22H,3,7-8,11H2,(H,24,25)/t15-/m1/s1
InChIKeyUKBJGBRIPXRZGT-OAHLLOKOSA-N
MW365.36 g/mol
LogP3.26
Rot. Bonds5

About (2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide

(2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (PubChem CID 56741113) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is (2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
PubChem CID56741113
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC Name(2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide
SMILESO=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)[C@H]1CCCN1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)13-5-1-6-14(10-13)26-17-12(4-2-9-23-17)11-24-16(25)15-7-3-8-22-15/h1-2,4-6,9-10,15,22H,3,7-8,11H2,(H,24,25)/t15-/m1/s1
InChIKeyUKBJGBRIPXRZGT-OAHLLOKOSA-N
XLogP3.26
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide (CID 56741113) is (2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is O=C(NCc1cccnc1Oc1cccc(C(F)(F)F)c1)[C@H]1CCCN1.
What is the InChIKey of (2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is UKBJGBRIPXRZGT-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)13-5-1-6-14(10-13)26-17-12(4-2-9-23-17)11-24-16(25)15-7-3-8-22-15/h1-2,4-6,9-10,15,22H,3,7-8,11H2,(H,24,25)/t15-/m1/s1.
What are the key properties of (2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide?
(2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 56741113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).