2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide

C20H18BrFN4O — CID 67201246

IUPAC2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide
SMILESNC(=O)C(c1ccccn1)c1cc(Br)cnc1NCCc1cccc(F)c1
InChIInChI=1S/C20H18BrFN4O/c21-14-11-16(18(19(23)27)17-6-1-2-8-24-17)20(26-12-14)25-9-7-13-4-3-5-15(22)10-13/h1-6,8,10-12,18H,7,9H2,(H2,23,27)(H,25,26)
InChIKeyCUEHAJQISCFEEH-UHFFFAOYSA-N
MW429.29 g/mol
LogP3.65
Rot. Bonds7

About 2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide

2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide (PubChem CID 67201246) has the molecular formula C20H18BrFN4O and a molecular weight of 429.29 g/mol. Its IUPAC name is 2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide
PubChem CID67201246
Molecular FormulaC20H18BrFN4O
Molecular Weight429.29 g/mol
Exact Mass428.06
IUPAC Name2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide
SMILESNC(=O)C(c1ccccn1)c1cc(Br)cnc1NCCc1cccc(F)c1
InChIInChI=1S/C20H18BrFN4O/c21-14-11-16(18(19(23)27)17-6-1-2-8-24-17)20(26-12-14)25-9-7-13-4-3-5-15(22)10-13/h1-6,8,10-12,18H,7,9H2,(H2,23,27)(H,25,26)
InChIKeyCUEHAJQISCFEEH-UHFFFAOYSA-N
XLogP3.65
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.29
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide?
The IUPAC name of 2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide (CID 67201246) is 2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide?
The canonical SMILES for 2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide is NC(=O)C(c1ccccn1)c1cc(Br)cnc1NCCc1cccc(F)c1.
What is the InChIKey of 2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide?
The InChIKey is CUEHAJQISCFEEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18BrFN4O/c21-14-11-16(18(19(23)27)17-6-1-2-8-24-17)20(26-12-14)25-9-7-13-4-3-5-15(22)10-13/h1-6,8,10-12,18H,7,9H2,(H2,23,27)(H,25,26).
What are the key properties of 2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide?
2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide has a molecular weight of 429.29 g/mol, XLogP of 3.65, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-bromo-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-2-ylacetamide is sourced from PubChem (CID 67201246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).