2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

C26H21ClF2N4O — CID 67101082

IUPAC2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2ccc(F)cc2Cl)nc1NCCc1cccc(F)c1
InChIInChI=1S/C26H21ClF2N4O/c27-22-14-19(29)6-7-20(22)23-9-8-21(24(25(30)34)17-4-2-11-31-15-17)26(33-23)32-12-10-16-3-1-5-18(28)13-16/h1-9,11,13-15,24H,10,12H2,(H2,30,34)(H,32,33)
InChIKeyIILAAUURJODOGZ-UHFFFAOYSA-N
MW478.93 g/mol
LogP5.35
Rot. Bonds8

About 2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101082) has the molecular formula C26H21ClF2N4O and a molecular weight of 478.93 g/mol. Its IUPAC name is 2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101082
Molecular FormulaC26H21ClF2N4O
Molecular Weight478.93 g/mol
Exact Mass478.14
IUPAC Name2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2ccc(F)cc2Cl)nc1NCCc1cccc(F)c1
InChIInChI=1S/C26H21ClF2N4O/c27-22-14-19(29)6-7-20(22)23-9-8-21(24(25(30)34)17-4-2-11-31-15-17)26(33-23)32-12-10-16-3-1-5-18(28)13-16/h1-9,11,13-15,24H,10,12H2,(H2,30,34)(H,32,33)
InChIKeyIILAAUURJODOGZ-UHFFFAOYSA-N
XLogP5.35
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.93
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101082) is 2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1ccc(-c2ccc(F)cc2Cl)nc1NCCc1cccc(F)c1.
What is the InChIKey of 2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is IILAAUURJODOGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF2N4O/c27-22-14-19(29)6-7-20(22)23-9-8-21(24(25(30)34)17-4-2-11-31-15-17)26(33-23)32-12-10-16-3-1-5-18(28)13-16/h1-9,11,13-15,24H,10,12H2,(H2,30,34)(H,32,33).
What are the key properties of 2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide has a molecular weight of 478.93 g/mol, XLogP of 5.35, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-chloro-4-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).