N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide

C15H16N2O2 — CID 54913399

IUPACN-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1cccnc1
InChIInChI=1S/C15H16N2O2/c1-11(12-5-7-14(18)8-6-12)17(2)15(19)13-4-3-9-16-10-13/h3-11,18H,1-2H3
InChIKeyPIRXTFGOZMZBEG-UHFFFAOYSA-N
MW256.31 g/mol
LogP2.62
Rot. Bonds3

About N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide

N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide (PubChem CID 54913399) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
PubChem CID54913399
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC NameN-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
SMILESCC(c1ccc(O)cc1)N(C)C(=O)c1cccnc1
InChIInChI=1S/C15H16N2O2/c1-11(12-5-7-14(18)8-6-12)17(2)15(19)13-4-3-9-16-10-13/h3-11,18H,1-2H3
InChIKeyPIRXTFGOZMZBEG-UHFFFAOYSA-N
XLogP2.62
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide (CID 54913399) is N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide is CC(c1ccc(O)cc1)N(C)C(=O)c1cccnc1.
What is the InChIKey of N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
The InChIKey is PIRXTFGOZMZBEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-11(12-5-7-14(18)8-6-12)17(2)15(19)13-4-3-9-16-10-13/h3-11,18H,1-2H3.
What are the key properties of N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide?
N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-hydroxyphenyl)ethyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 54913399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).