N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide

C16H18N2O3 — CID 103800325

IUPACN-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCCN(C(=O)c1cc[nH]c(=O)c1)C(C)c1cccc(O)c1
InChIInChI=1S/C16H18N2O3/c1-3-18(11(2)12-5-4-6-14(19)9-12)16(21)13-7-8-17-15(20)10-13/h4-11,19H,3H2,1-2H3,(H,17,20)
InChIKeyIRNIPPFEDFUXNO-UHFFFAOYSA-N
MW286.33 g/mol
LogP2.30
Rot. Bonds4

About N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide

N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide (PubChem CID 103800325) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
PubChem CID103800325
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
SMILESCCN(C(=O)c1cc[nH]c(=O)c1)C(C)c1cccc(O)c1
InChIInChI=1S/C16H18N2O3/c1-3-18(11(2)12-5-4-6-14(19)9-12)16(21)13-7-8-17-15(20)10-13/h4-11,19H,3H2,1-2H3,(H,17,20)
InChIKeyIRNIPPFEDFUXNO-UHFFFAOYSA-N
XLogP2.30
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide?
The IUPAC name of N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide (CID 103800325) is N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide.
What is the SMILES notation for N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide?
The canonical SMILES for N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide is CCN(C(=O)c1cc[nH]c(=O)c1)C(C)c1cccc(O)c1.
What is the InChIKey of N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide?
The InChIKey is IRNIPPFEDFUXNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-3-18(11(2)12-5-4-6-14(19)9-12)16(21)13-7-8-17-15(20)10-13/h4-11,19H,3H2,1-2H3,(H,17,20).
What are the key properties of N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide?
N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[1-(3-hydroxyphenyl)ethyl]-2-oxo-1H-pyridine-4-carboxamide is sourced from PubChem (CID 103800325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).