2-[6-(2-chloro-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

C26H21ClF2N4O — CID 67101207

IUPAC2-[6-(2-chloro-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2cc(F)ccc2Cl)nc1NCCc1cccc(F)c1
InChIInChI=1S/C26H21ClF2N4O/c27-22-8-6-19(29)14-21(22)23-9-7-20(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)
InChIKeyFILPYPZQXBISPO-UHFFFAOYSA-N
MW478.93 g/mol
LogP5.35
Rot. Bonds8

About 2-[6-(2-chloro-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide

2-[6-(2-chloro-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101207) has the molecular formula C26H21ClF2N4O and a molecular weight of 478.93 g/mol. Its IUPAC name is 2-[6-(2-chloro-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[6-(2-chloro-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101207
Molecular FormulaC26H21ClF2N4O
Molecular Weight478.93 g/mol
Exact Mass478.14
IUPAC Name2-[6-(2-chloro-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2cc(F)ccc2Cl)nc1NCCc1cccc(F)c1
InChIInChI=1S/C26H21ClF2N4O/c27-22-8-6-19(29)14-21(22)23-9-7-20(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)
InChIKeyFILPYPZQXBISPO-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

Analyze 2-[6-(2-chloro-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide with MolForge

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Related Compounds

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US10251893, Cpd 51
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2-(4-(2-methylpyridin-4-yl)phenyl)-N-(5-phenylpyridin-2-yl)acetamide
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Cdk9-IN-2
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CID 24779756
1-(6-(2-Chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
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CID 1241672
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CID 11998407
N-(2-(6-(3-chloro-4-fluorobenzylamino)-3-oxo-2-(pyridin-3-yl)pyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-chloro-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[6-(2-chloro-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101207) is 2-[6-(2-chloro-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[6-(2-chloro-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[6-(2-chloro-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1ccc(-c2cc(F)ccc2Cl)nc1NCCc1cccc(F)c1.
What is the InChIKey of 2-[6-(2-chloro-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is FILPYPZQXBISPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF2N4O/c27-22-8-6-19(29)14-21(22)23-9-7-20(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-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[6-(2-chloro-5-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-5-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).