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

C21H17ClFN3O2 — CID 109088541

IUPAC2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccnc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H17ClFN3O2/c22-16-3-1-14(2-4-16)9-11-25-21(28)19-13-15(10-12-24-19)20(27)26-18-7-5-17(23)6-8-18/h1-8,10,12-13H,9,11H2,(H,25,28)(H,26,27)
InChIKeyBAAXNGUBGBFEOG-UHFFFAOYSA-N
MW397.84 g/mol
LogP4.10
Rot. Bonds6

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

2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide (PubChem CID 109088541) has the molecular formula C21H17ClFN3O2 and a molecular weight of 397.84 g/mol. Its IUPAC name is 2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
PubChem CID109088541
Molecular FormulaC21H17ClFN3O2
Molecular Weight397.84 g/mol
Exact Mass397.10
IUPAC Name2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccnc(C(=O)NCCc2ccc(Cl)cc2)c1
InChIInChI=1S/C21H17ClFN3O2/c22-16-3-1-14(2-4-16)9-11-25-21(28)19-13-15(10-12-24-19)20(27)26-18-7-5-17(23)6-8-18/h1-8,10,12-13H,9,11H2,(H,25,28)(H,26,27)
InChIKeyBAAXNGUBGBFEOG-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-(2,6-difluorophenyl)-4-N-[2-(4-fluorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109088058
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109098835
2-N-[2-(4-fluorophenyl)ethyl]-4-N-propylpyridine-2,4-dicarboxamide
CID 109077658
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
2-N-butyl-4-N-[2-(4-chlorophenyl)ethyl]pyridine-2,4-dicarboxamide
CID 109079423
2-N-(4-chlorophenyl)-4-N-(2,4-difluorophenyl)pyridine-2,4-dicarboxamide
CID 109092888
4-N-(3-chloro-4-methylphenyl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086609
2-N-[2-(4-chlorophenyl)ethyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088529
4-N-[(4-fluorophenyl)methyl]-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109086488
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide (CID 109088541) is 2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide is O=C(Nc1ccc(F)cc1)c1ccnc(C(=O)NCCc2ccc(Cl)cc2)c1.
What is the InChIKey of 2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide?
The InChIKey is BAAXNGUBGBFEOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClFN3O2/c22-16-3-1-14(2-4-16)9-11-25-21(28)19-13-15(10-12-24-19)20(27)26-18-7-5-17(23)6-8-18/h1-8,10,12-13H,9,11H2,(H,25,28)(H,26,27).
What are the key properties of 2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide?
2-N-[2-(4-chlorophenyl)ethyl]-4-N-(4-fluorophenyl)pyridine-2,4-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]-4-N-(4-fluorophenyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109088541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).