(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide

C17H18FN3O2 — CID 59596679

IUPAC(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cn2)N1
InChIInChI=1S/C17H18FN3O2/c18-13-4-2-1-3-11(13)10-23-12-5-6-14(20-9-12)15-7-8-16(21-15)17(19)22/h1-6,9,15-16,21H,7-8,10H2,(H2,19,22)/t15-,16+/m1/s1
InChIKeyXUAXUDKRNXFTPI-CVEARBPZSA-N
MW315.35 g/mol
LogP2.08
Rot. Bonds5

About (2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide

(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide (PubChem CID 59596679) has the molecular formula C17H18FN3O2 and a molecular weight of 315.35 g/mol. Its IUPAC name is (2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide
PubChem CID59596679
Molecular FormulaC17H18FN3O2
Molecular Weight315.35 g/mol
Exact Mass315.14
IUPAC Name(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide
SMILESNC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cn2)N1
InChIInChI=1S/C17H18FN3O2/c18-13-4-2-1-3-11(13)10-23-12-5-6-14(20-9-12)15-7-8-16(21-15)17(19)22/h1-6,9,15-16,21H,7-8,10H2,(H2,19,22)/t15-,16+/m1/s1
InChIKeyXUAXUDKRNXFTPI-CVEARBPZSA-N
XLogP2.08
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide (CID 59596679) is (2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide is NC(=O)[C@@H]1CC[C@H](c2ccc(OCc3ccccc3F)cn2)N1.
What is the InChIKey of (2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide?
The InChIKey is XUAXUDKRNXFTPI-CVEARBPZSA-N. The full InChI is InChI=1S/C17H18FN3O2/c18-13-4-2-1-3-11(13)10-23-12-5-6-14(20-9-12)15-7-8-16(21-15)17(19)22/h1-6,9,15-16,21H,7-8,10H2,(H2,19,22)/t15-,16+/m1/s1.
What are the key properties of (2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide?
(2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide has a molecular weight of 315.35 g/mol, XLogP of 2.08, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[5-[(2-fluorophenyl)methoxy]-2-pyridinyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 59596679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).