N-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide

C21H20N2O3 — CID 117087849

IUPACN-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(-c2cccc(C(=O)NCCc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C21H20N2O3/c1-26-18-11-7-16(8-12-18)19-3-2-4-20(23-19)21(25)22-14-13-15-5-9-17(24)10-6-15/h2-12,24H,13-14H2,1H3,(H,22,25)
InChIKeyYOOGZHFMRQDVSZ-UHFFFAOYSA-N
MW348.40 g/mol
LogP3.44
Rot. Bonds6

About N-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide

N-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide (PubChem CID 117087849) has the molecular formula C21H20N2O3 and a molecular weight of 348.40 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide
PubChem CID117087849
Molecular FormulaC21H20N2O3
Molecular Weight348.40 g/mol
Exact Mass348.15
IUPAC NameN-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide
SMILESCOc1ccc(-c2cccc(C(=O)NCCc3ccc(O)cc3)n2)cc1
InChIInChI=1S/C21H20N2O3/c1-26-18-11-7-16(8-12-18)19-3-2-4-20(23-19)21(25)22-14-13-15-5-9-17(24)10-6-15/h2-12,24H,13-14H2,1H3,(H,22,25)
InChIKeyYOOGZHFMRQDVSZ-UHFFFAOYSA-N
XLogP3.44
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide (CID 117087849) is N-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide is COc1ccc(-c2cccc(C(=O)NCCc3ccc(O)cc3)n2)cc1.
What is the InChIKey of N-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide?
The InChIKey is YOOGZHFMRQDVSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O3/c1-26-18-11-7-16(8-12-18)19-3-2-4-20(23-19)21(25)22-14-13-15-5-9-17(24)10-6-15/h2-12,24H,13-14H2,1H3,(H,22,25).
What are the key properties of N-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide?
N-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide has a molecular weight of 348.40 g/mol, XLogP of 3.44, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)ethyl]-6-(4-methoxyphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 117087849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).