N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide

C18H18F3N3O2 — CID 71509734

IUPACN-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnc(OCC(F)(F)F)c(C2CCCC2)c1)c1ccccn1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)11-26-17-14(12-5-1-2-6-12)9-13(10-23-17)24-16(25)15-7-3-4-8-22-15/h3-4,7-10,12H,1-2,5-6,11H2,(H,24,25)
InChIKeyYBJUFPLBNLFYSU-UHFFFAOYSA-N
MW365.36 g/mol
LogP4.33
Rot. Bonds5

About N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide

N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 71509734) has the molecular formula C18H18F3N3O2 and a molecular weight of 365.36 g/mol. Its IUPAC name is N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID71509734
Molecular FormulaC18H18F3N3O2
Molecular Weight365.36 g/mol
Exact Mass365.14
IUPAC NameN-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C(Nc1cnc(OCC(F)(F)F)c(C2CCCC2)c1)c1ccccn1
InChIInChI=1S/C18H18F3N3O2/c19-18(20,21)11-26-17-14(12-5-1-2-6-12)9-13(10-23-17)24-16(25)15-7-3-4-8-22-15/h3-4,7-10,12H,1-2,5-6,11H2,(H,24,25)
InChIKeyYBJUFPLBNLFYSU-UHFFFAOYSA-N
XLogP4.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide (CID 71509734) is N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide is O=C(Nc1cnc(OCC(F)(F)F)c(C2CCCC2)c1)c1ccccn1.
What is the InChIKey of N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is YBJUFPLBNLFYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3N3O2/c19-18(20,21)11-26-17-14(12-5-1-2-6-12)9-13(10-23-17)24-16(25)15-7-3-4-8-22-15/h3-4,7-10,12H,1-2,5-6,11H2,(H,24,25).
What are the key properties of N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide?
N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 365.36 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-cyclopentyl-6-(2,2,2-trifluoroethoxy)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 71509734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).