5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide

C22H22FN3O — CID 109188857

IUPAC5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(NCCc2ccccc2F)cn1)c1ccccc1
InChIInChI=1S/C22H22FN3O/c1-16(17-7-3-2-4-8-17)26-22(27)21-12-11-19(15-25-21)24-14-13-18-9-5-6-10-20(18)23/h2-12,15-16,24H,13-14H2,1H3,(H,26,27)
InChIKeyHMAJJRCQRDOYMY-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.37
Rot. Bonds7

About 5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide

5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide (PubChem CID 109188857) has the molecular formula C22H22FN3O and a molecular weight of 363.44 g/mol. Its IUPAC name is 5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide
PubChem CID109188857
Molecular FormulaC22H22FN3O
Molecular Weight363.44 g/mol
Exact Mass363.17
IUPAC Name5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccc(NCCc2ccccc2F)cn1)c1ccccc1
InChIInChI=1S/C22H22FN3O/c1-16(17-7-3-2-4-8-17)26-22(27)21-12-11-19(15-25-21)24-14-13-18-9-5-6-10-20(18)23/h2-12,15-16,24H,13-14H2,1H3,(H,26,27)
InChIKeyHMAJJRCQRDOYMY-UHFFFAOYSA-N
XLogP4.37
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-fluoroanilino)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109188905
2-[2-(2-fluorophenyl)ethylamino]-6-methyl-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109328111
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
5-(butan-2-ylamino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109181620
5-[2-(2-fluorophenyl)ethylamino]-N-(4-propan-2-ylphenyl)pyrazine-2-carboxamide
CID 109284363
N-[2-(2-fluorophenyl)ethyl]-N'-(1-phenylethyl)propanediamide
CID 108945881
6-[(2-fluorophenyl)methylamino]-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109347632
5-[2-(2-fluorophenyl)ethylamino]-N-(furan-2-ylmethyl)pyridine-2-carboxamide
CID 109187499
N-tert-butyl-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189494
N-[(2-fluorophenyl)methyl]-5-(2-methylpropylamino)pyridine-2-carboxamide
CID 109181224
5-(4-fluoroanilino)-N-(1-phenylethyl)pyrazine-2-carboxamide
CID 109280827
5-(aminomethyl)-N-[(1R)-1-phenylethyl]pyridine-2-carboxamide
CID 107863938

Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide (CID 109188857) is 5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide is CC(NC(=O)c1ccc(NCCc2ccccc2F)cn1)c1ccccc1.
What is the InChIKey of 5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide?
The InChIKey is HMAJJRCQRDOYMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O/c1-16(17-7-3-2-4-8-17)26-22(27)21-12-11-19(15-25-21)24-14-13-18-9-5-6-10-20(18)23/h2-12,15-16,24H,13-14H2,1H3,(H,26,27).
What are the key properties of 5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide?
5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.37, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-fluorophenyl)ethylamino]-N-(1-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109188857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).