2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

C26H22F2N4O — CID 67101487

IUPAC2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2ccccc2F)nc1NCCc1cccc(F)c1
InChIInChI=1S/C26H22F2N4O/c27-19-7-3-5-17(15-19)12-14-31-26-21(24(25(29)33)18-6-4-13-30-16-18)10-11-23(32-26)20-8-1-2-9-22(20)28/h1-11,13,15-16,24H,12,14H2,(H2,29,33)(H,31,32)
InChIKeyRKYGPVQSTFKSNW-UHFFFAOYSA-N
MW444.49 g/mol
LogP4.69
Rot. Bonds8

About 2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101487) has the molecular formula C26H22F2N4O and a molecular weight of 444.49 g/mol. Its IUPAC name is 2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101487
Molecular FormulaC26H22F2N4O
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Name2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2ccccc2F)nc1NCCc1cccc(F)c1
InChIInChI=1S/C26H22F2N4O/c27-19-7-3-5-17(15-19)12-14-31-26-21(24(25(29)33)18-6-4-13-30-16-18)10-11-23(32-26)20-8-1-2-9-22(20)28/h1-11,13,15-16,24H,12,14H2,(H2,29,33)(H,31,32)
InChIKeyRKYGPVQSTFKSNW-UHFFFAOYSA-N
XLogP4.69
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[2-(3-fluorophenyl)ethylamino]-6-[2-(hydroxymethyl)thiophen-3-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67101798
2-[6-acetyl-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67200345
2-[2-[2-(3-fluorophenyl)ethylamino]-6-(1,2,3,6-tetrahydropyridin-4-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67187375
2-[6-(2-cyanophenyl)-2-[2-(3,5-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67101980
2-[2-[2-(3-fluorophenyl)ethylamino]-6-[3-(hydroxymethyl)thiophen-2-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67100713
2-[2-[2-(3-fluorophenyl)ethylamino]-6-[5-(hydroxymethyl)thiophen-3-yl]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67100985
2-[6-(1-ethoxyethenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67199786
2-[2-[2-(3-fluorophenyl)ethylamino]-6-[2-hydroxypropyl(methyl)amino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67197967
2-[2-[2-(3-fluorophenyl)ethylamino]-5-(hydroxymethyl)-6-phenyl-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67101286
2-[2-[2-(3-fluorophenyl)ethylamino]-6-(2-oxopyrrolidin-1-yl)-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67188823
2-[2-[2-(3-fluorophenyl)ethylamino]-6-(3-methoxypropylamino)-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67199036
2-[6-(2-cyanophenyl)-2-[2-(2,3-difluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
CID 67101907

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101487) is 2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1ccc(-c2ccccc2F)nc1NCCc1cccc(F)c1.
What is the InChIKey of 2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is RKYGPVQSTFKSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O/c27-19-7-3-5-17(15-19)12-14-31-26-21(24(25(29)33)18-6-4-13-30-16-18)10-11-23(32-26)20-8-1-2-9-22(20)28/h1-11,13,15-16,24H,12,14H2,(H2,29,33)(H,31,32).
What are the key properties of 2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 444.49 g/mol, XLogP of 4.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).