5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide

C22H21ClFN3O — CID 109192321

IUPAC5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C22H21ClFN3O/c23-18-5-1-16(2-6-18)11-13-25-20-9-10-21(27-15-20)22(28)26-14-12-17-3-7-19(24)8-4-17/h1-10,15,25H,11-14H2,(H,26,28)
InChIKeyHMWYZGBYRJHXCZ-UHFFFAOYSA-N
MW397.88 g/mol
LogP4.50
Rot. Bonds8

About 5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide

5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide (PubChem CID 109192321) has the molecular formula C22H21ClFN3O and a molecular weight of 397.88 g/mol. Its IUPAC name is 5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
PubChem CID109192321
Molecular FormulaC22H21ClFN3O
Molecular Weight397.88 g/mol
Exact Mass397.14
IUPAC Name5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
SMILESO=C(NCCc1ccc(F)cc1)c1ccc(NCCc2ccc(Cl)cc2)cn1
InChIInChI=1S/C22H21ClFN3O/c23-18-5-1-16(2-6-18)11-13-25-20-9-10-21(27-15-20)22(28)26-14-12-17-3-7-19(24)8-4-17/h1-10,15,25H,11-14H2,(H,26,28)
InChIKeyHMWYZGBYRJHXCZ-UHFFFAOYSA-N
XLogP4.50
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.88
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698
N-[2-(4-chlorophenyl)ethyl]-5-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109193674
N-[2-(4-fluorophenyl)ethyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189475
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
5-[2-(4-chlorophenyl)ethylamino]-N-(2,4-difluorophenyl)pyridine-2-carboxamide
CID 109193713
5-[2-(4-fluorophenyl)ethylamino]-N-(2-methylpropyl)pyridine-2-carboxamide
CID 109181046
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308380
2-N-[2-(4-chlorophenyl)ethyl]-6-N-(4-fluorophenyl)pyridine-2,6-dicarboxamide
CID 109098835
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191792
N-[2-(4-chlorophenyl)ethyl]-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182393

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide (CID 109192321) is 5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide is O=C(NCCc1ccc(F)cc1)c1ccc(NCCc2ccc(Cl)cc2)cn1.
What is the InChIKey of 5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
The InChIKey is HMWYZGBYRJHXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN3O/c23-18-5-1-16(2-6-18)11-13-25-20-9-10-21(27-15-20)22(28)26-14-12-17-3-7-19(24)8-4-17/h1-10,15,25H,11-14H2,(H,26,28).
What are the key properties of 5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide?
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide has a molecular weight of 397.88 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 109192321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).