N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide

C17H16F3N3O2 — CID 168909169

IUPACN-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(NC1CCNC1)c1cc(-c2cccc(OC(F)(F)F)c2)ccn1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)25-14-3-1-2-11(8-14)12-4-7-22-15(9-12)16(24)23-13-5-6-21-10-13/h1-4,7-9,13,21H,5-6,10H2,(H,23,24)
InChIKeyXIEDUEBNZWETQL-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.74
Rot. Bonds4

About N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide

N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (PubChem CID 168909169) has the molecular formula C17H16F3N3O2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
PubChem CID168909169
Molecular FormulaC17H16F3N3O2
Molecular Weight351.33 g/mol
Exact Mass351.12
IUPAC NameN-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
SMILESO=C(NC1CCNC1)c1cc(-c2cccc(OC(F)(F)F)c2)ccn1
InChIInChI=1S/C17H16F3N3O2/c18-17(19,20)25-14-3-1-2-11(8-14)12-4-7-22-15(9-12)16(24)23-13-5-6-21-10-13/h1-4,7-9,13,21H,5-6,10H2,(H,23,24)
InChIKeyXIEDUEBNZWETQL-UHFFFAOYSA-N
XLogP2.74
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The IUPAC name of N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide (CID 168909169) is N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide.
What is the SMILES notation for N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The canonical SMILES for N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is O=C(NC1CCNC1)c1cc(-c2cccc(OC(F)(F)F)c2)ccn1.
What is the InChIKey of N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
The InChIKey is XIEDUEBNZWETQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F3N3O2/c18-17(19,20)25-14-3-1-2-11(8-14)12-4-7-22-15(9-12)16(24)23-13-5-6-21-10-13/h1-4,7-9,13,21H,5-6,10H2,(H,23,24).
What are the key properties of N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide?
N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide has a molecular weight of 351.33 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyrrolidin-3-yl-4-[3-(trifluoromethoxy)phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 168909169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).