5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide

C20H18FN3O — CID 109191792

IUPAC5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2ccc(F)cc2)cn1
InChIInChI=1S/C20H18FN3O/c21-16-6-8-17(9-7-16)24-18-10-11-19(23-14-18)20(25)22-13-12-15-4-2-1-3-5-15/h1-11,14,24H,12-13H2,(H,22,25)
InChIKeyJTLYTCRXHLKHPF-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.94
Rot. Bonds6

About 5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide

5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide (PubChem CID 109191792) has the molecular formula C20H18FN3O and a molecular weight of 335.38 g/mol. Its IUPAC name is 5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
PubChem CID109191792
Molecular FormulaC20H18FN3O
Molecular Weight335.38 g/mol
Exact Mass335.14
IUPAC Name5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
SMILESO=C(NCCc1ccccc1)c1ccc(Nc2ccc(F)cc2)cn1
InChIInChI=1S/C20H18FN3O/c21-16-6-8-17(9-7-16)24-18-10-11-19(23-14-18)20(25)22-13-12-15-4-2-1-3-5-15/h1-11,14,24H,12-13H2,(H,22,25)
InChIKeyJTLYTCRXHLKHPF-UHFFFAOYSA-N
XLogP3.94
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.94
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
N-[2-(4-fluorophenyl)ethyl]-5-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109192324
5-(3-chloro-4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191800
5-anilino-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109194849
N-[2-(4-fluorophenyl)ethyl]-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109192362
5-(3,4-dimethylanilino)-N-(2-phenylethyl)pyridine-2-carboxamide
CID 109191782
N-[2-(2-fluorophenyl)ethyl]-5-(2-phenylethylamino)pyridine-2-carboxamide
CID 109191848
N-[2-(4-fluorophenyl)ethyl]-5-[(2-fluorophenyl)methylamino]pyridine-2-carboxamide
CID 109189475
5-[2-(4-chlorophenyl)ethylamino]-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109192321
5-(2-phenylethylamino)-N-propylpyridine-2-carboxamide
CID 109179079
5-(ethylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 104639698
5-anilino-N-benzylpyridine-2-carboxamide
CID 109187879

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The IUPAC name of 5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide (CID 109191792) is 5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide is O=C(NCCc1ccccc1)c1ccc(Nc2ccc(F)cc2)cn1.
What is the InChIKey of 5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
The InChIKey is JTLYTCRXHLKHPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O/c21-16-6-8-17(9-7-16)24-18-10-11-19(23-14-18)20(25)22-13-12-15-4-2-1-3-5-15/h1-11,14,24H,12-13H2,(H,22,25).
What are the key properties of 5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide?
5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 3.94, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluoroanilino)-N-(2-phenylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109191792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).