4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide

C22H22FN3O — CID 109213527

IUPAC4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C22H22FN3O/c23-19-8-6-18(7-9-19)10-13-24-20-12-15-25-21(16-20)22(27)26-14-11-17-4-2-1-3-5-17/h1-9,12,15-16H,10-11,13-14H2,(H,24,25)(H,26,27)
InChIKeyOQNBCKVSNSUGSY-UHFFFAOYSA-N
MW363.44 g/mol
LogP3.85
Rot. Bonds8

About 4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide

4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 109213527) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID109213527
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1cc(NCCc2ccc(F)cc2)ccn1
InChIInChI=1S/C22H22FN3O/c23-19-8-6-18(7-9-19)10-13-24-20-12-15-25-21(16-20)22(27)26-14-11-17-4-2-1-3-5-17/h1-9,12,15-16H,10-11,13-14H2,(H,24,25)(H,26,27)
InChIKeyOQNBCKVSNSUGSY-UHFFFAOYSA-N
XLogP3.85
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
4-[2-(4-fluorophenyl)ethylamino]-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109214186
N-(2-phenylethyl)-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109213524
4-[2-(3-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214119
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(4-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214179
4-[2-(4-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214178
4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214110
N-[2-(4-fluorophenyl)ethyl]-4-(3-methoxypropylamino)pyridine-2-carboxamide
CID 109206237
N-[2-(4-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191849
4-[2-(4-fluorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]pyridine-2-carboxamide
CID 109210175
N-[2-(cyclohexen-1-yl)ethyl]-4-(2-phenylethylamino)pyridine-2-carboxamide
CID 109205458

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide (CID 109213527) is 4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide is O=C(NCCc1ccccc1)c1cc(NCCc2ccc(F)cc2)ccn1.
What is the InChIKey of 4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is OQNBCKVSNSUGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c23-19-8-6-18(7-9-19)10-13-24-20-12-15-25-21(16-20)22(27)26-14-11-17-4-2-1-3-5-17/h1-9,12,15-16H,10-11,13-14H2,(H,24,25)(H,26,27).
What are the key properties of 4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide?
4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 3.85, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-fluorophenyl)ethylamino]-N-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).