N-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

C22H20F3N3O2 — CID 71452899

IUPACN-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1-c1cccnc1)c1ccc(OCCC(F)(F)F)nc1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)10-13-30-20-8-7-18(15-28-20)21(29)27-12-9-16-4-1-2-6-19(16)17-5-3-11-26-14-17/h1-8,11,14-15H,9-10,12-13H2,(H,27,29)
InChIKeyLZKLBAZPICSBPE-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.45
Rot. Bonds8

About N-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide

N-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (PubChem CID 71452899) has the molecular formula C22H20F3N3O2 and a molecular weight of 415.42 g/mol. Its IUPAC name is N-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
PubChem CID71452899
Molecular FormulaC22H20F3N3O2
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC NameN-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide
SMILESO=C(NCCc1ccccc1-c1cccnc1)c1ccc(OCCC(F)(F)F)nc1
InChIInChI=1S/C22H20F3N3O2/c23-22(24,25)10-13-30-20-8-7-18(15-28-20)21(29)27-12-9-16-4-1-2-6-19(16)17-5-3-11-26-14-17/h1-8,11,14-15H,9-10,12-13H2,(H,27,29)
InChIKeyLZKLBAZPICSBPE-UHFFFAOYSA-N
XLogP4.45
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The IUPAC name of N-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide (CID 71452899) is N-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is O=C(NCCc1ccccc1-c1cccnc1)c1ccc(OCCC(F)(F)F)nc1.
What is the InChIKey of N-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
The InChIKey is LZKLBAZPICSBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N3O2/c23-22(24,25)10-13-30-20-8-7-18(15-28-20)21(29)27-12-9-16-4-1-2-6-19(16)17-5-3-11-26-14-17/h1-8,11,14-15H,9-10,12-13H2,(H,27,29).
What are the key properties of N-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide?
N-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide has a molecular weight of 415.42 g/mol, XLogP of 4.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-pyridin-3-ylphenyl)ethyl]-6-(3,3,3-trifluoropropoxy)pyridine-3-carboxamide is sourced from PubChem (CID 71452899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).