N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide

C21H19FN2O2 — CID 155522937

IUPACN-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)NCCc3ccccc3F)nc2)c1
InChIInChI=1S/C21H19FN2O2/c1-26-18-7-4-6-16(13-18)17-9-10-20(24-14-17)21(25)23-12-11-15-5-2-3-8-19(15)22/h2-10,13-14H,11-12H2,1H3,(H,23,25)
InChIKeyYEEIHPROGDSCMP-UHFFFAOYSA-N
MW350.39 g/mol
LogP3.87
Rot. Bonds6

About N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide

N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 155522937) has the molecular formula C21H19FN2O2 and a molecular weight of 350.39 g/mol. Its IUPAC name is N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide
PubChem CID155522937
Molecular FormulaC21H19FN2O2
Molecular Weight350.39 g/mol
Exact Mass350.14
IUPAC NameN-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1cccc(-c2ccc(C(=O)NCCc3ccccc3F)nc2)c1
InChIInChI=1S/C21H19FN2O2/c1-26-18-7-4-6-16(13-18)17-9-10-20(24-14-17)21(25)23-12-11-15-5-2-3-8-19(15)22/h2-10,13-14H,11-12H2,1H3,(H,23,25)
InChIKeyYEEIHPROGDSCMP-UHFFFAOYSA-N
XLogP3.87
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.39
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide (CID 155522937) is N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide is COc1cccc(-c2ccc(C(=O)NCCc3ccccc3F)nc2)c1.
What is the InChIKey of N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is YEEIHPROGDSCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN2O2/c1-26-18-7-4-6-16(13-18)17-9-10-20(24-14-17)21(25)23-12-11-15-5-2-3-8-19(15)22/h2-10,13-14H,11-12H2,1H3,(H,23,25).
What are the key properties of N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide?
N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 350.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluorophenyl)ethyl]-5-(3-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 155522937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).