2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide

C21H17ClFN3O2 — CID 109098835

IUPAC2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C21H17ClFN3O2/c22-15-6-4-14(5-7-15)12-13-24-20(27)18-2-1-3-19(26-18)21(28)25-17-10-8-16(23)9-11-17/h1-11H,12-13H2,(H,24,27)(H,25,28)
InChIKeyMJYGLPBMFBRRKT-UHFFFAOYSA-N
MW397.84 g/mol
LogP4.10
Rot. Bonds6

About 2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide

2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide (PubChem CID 109098835) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is 2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
PubChem CID109098835
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC Name2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
SMILESO=C(NCCc1ccc(Cl)cc1)c1cccc(C(=O)Nc2ccc(F)cc2)n1
InChIInChI=1S/C21H17ClFN3O2/c22-15-6-4-14(5-7-15)12-13-24-20(27)18-2-1-3-19(26-18)21(28)25-17-10-8-16(23)9-11-17/h1-11H,12-13H2,(H,24,27)(H,25,28)
InChIKeyMJYGLPBMFBRRKT-UHFFFAOYSA-N
XLogP4.10
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.84
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-[(4-chlorophenyl)methyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109097951
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
6-N-[2-(4-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-dicarboxamide
CID 109093462
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
CID 109088541
6-N-(2,6-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098596
6-fluoro-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 115496649
2-N-butyl-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109094303
6-N-(4-fluorophenyl)-2-N-(2-methoxyethyl)pyridine-2,6-dicarboxamide
CID 109095740
N-[2-(4-fluorophenyl)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62237588
2-N-[2-(4-fluorophenyl)ethyl]-6-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2,6-dicarboxamide
CID 109098616
6-N-(2,3-dimethylphenyl)-2-N-[2-(4-fluorophenyl)ethyl]pyridine-2,6-dicarboxamide
CID 109098597
2-N-[2-(4-fluorophenyl)ethyl]-6-N-propan-2-ylpyridine-2,6-dicarboxamide
CID 109093654

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide (CID 109098835) is 2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide is O=C(NCCc1ccc(Cl)cc1)c1cccc(C(=O)Nc2ccc(F)cc2)n1.
What is the InChIKey of 2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide?
The InChIKey is MJYGLPBMFBRRKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c22-15-6-4-14(5-7-15)12-13-24-20(27)18-2-1-3-19(26-18)21(28)25-17-10-8-16(23)9-11-17/h1-11H,12-13H2,(H,24,27)(H,25,28).
What are the key properties of 2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide?
2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide has a molecular weight of 397.84 g/mol, XLogP of 4.10, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).