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

C26H21ClF2N4O — CID 67101490

IUPAC2-[6-(2-chloro-6-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2c(F)cccc2Cl)nc1NCCc1cccc(F)c1
InChIInChI=1S/C26H21ClF2N4O/c27-20-7-2-8-21(29)24(20)22-10-9-19(23(25(30)34)17-5-3-12-31-15-17)26(33-22)32-13-11-16-4-1-6-18(28)14-16/h1-10,12,14-15,23H,11,13H2,(H2,30,34)(H,32,33)
InChIKeyQXFVHVCLRCCFFK-UHFFFAOYSA-N
MW478.93 g/mol
LogP5.35
Rot. Bonds8

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

2-[6-(2-chloro-6-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (PubChem CID 67101490) has the molecular formula C26H21ClF2N4O and a molecular weight of 478.93 g/mol. Its IUPAC name is 2-[6-(2-chloro-6-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.

Molecular Properties

Compound Name2-[6-(2-chloro-6-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
PubChem CID67101490
Molecular FormulaC26H21ClF2N4O
Molecular Weight478.93 g/mol
Exact Mass478.14
IUPAC Name2-[6-(2-chloro-6-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide
SMILESNC(=O)C(c1cccnc1)c1ccc(-c2c(F)cccc2Cl)nc1NCCc1cccc(F)c1
InChIInChI=1S/C26H21ClF2N4O/c27-20-7-2-8-21(29)24(20)22-10-9-19(23(25(30)34)17-5-3-12-31-15-17)26(33-22)32-13-11-16-4-1-6-18(28)14-16/h1-10,12,14-15,23H,11,13H2,(H2,30,34)(H,32,33)
InChIKeyQXFVHVCLRCCFFK-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-6-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2''-(2-Chlorophenylamino)-6-piperazin-1-yl[2,4'']bipyridinyl-4-carboxylic Acid Amide
CID 46901544
US10251893, Cpd 51
CID 46926891
2-(4-(2-methylpyridin-4-yl)phenyl)-N-(5-phenylpyridin-2-yl)acetamide
CID 46927726
Cdk9-IN-2
CID 49855228
6-[(2-Chloro-4,6-difluorophenyl)amino]pyrido[4,3-c]-1,6-naphthyridin-10(9H)-one
CID 59436049
2-(2-chloro-6-fluorophenyl)-N-(4-methylpyridin-2-yl)acetamide
CID 3158234
2-aminopyrido[2,3-d]pyrimidin-7(8H)-one 36
CID 5327883
N-((6-amino-2-methylpyridin-3-yl)methyl)-2-(6-chloro-3-(2-(5-chloropyridin-2-yl)-2,2-difluoroethylamino)-2-fluorophenyl)acetamide
CID 24779756
1-(6-(2-Chloropyridin-4-yl)-5-(4-(trifluoromethyl)phenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
CID 44576686
N-benzyl-2-(2-chloro-6-fluorophenyl)-N-2-pyridinylacetamide
CID 1241672
1-(6-(2-Chlorophenyl)-5-(4-chlorophenyl)pyrazin-2-yl)-4-(ethylamino)piperidine-4-carboxamide
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
CID 24829560

Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-chloro-6-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The IUPAC name of 2-[6-(2-chloro-6-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide (CID 67101490) is 2-[6-(2-chloro-6-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide.
What is the SMILES notation for 2-[6-(2-chloro-6-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The canonical SMILES for 2-[6-(2-chloro-6-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is NC(=O)C(c1cccnc1)c1ccc(-c2c(F)cccc2Cl)nc1NCCc1cccc(F)c1.
What is the InChIKey of 2-[6-(2-chloro-6-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
The InChIKey is QXFVHVCLRCCFFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClF2N4O/c27-20-7-2-8-21(29)24(20)22-10-9-19(23(25(30)34)17-5-3-12-31-15-17)26(33-22)32-13-11-16-4-1-6-18(28)14-16/h1-10,12,14-15,23H,11,13H2,(H2,30,34)(H,32,33).
What are the key properties of 2-[6-(2-chloro-6-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide?
2-[6-(2-chloro-6-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-6-fluorophenyl)-2-[2-(3-fluorophenyl)ethylamino]-3-pyridinyl]-2-pyridin-3-ylacetamide is sourced from PubChem (CID 67101490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).