N-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide

C16H18N2O4 — CID 21474362

IUPACN-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide
SMILESCC(=O)NCCn1ccc(=O)c(O)c1C(O)c1ccccc1
InChIInChI=1S/C16H18N2O4/c1-11(19)17-8-10-18-9-7-13(20)16(22)14(18)15(21)12-5-3-2-4-6-12/h2-7,9,15,21-22H,8,10H2,1H3,(H,17,19)
InChIKeyFVZCPWVETUIROO-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.77
Rot. Bonds5

About N-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide

N-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide (PubChem CID 21474362) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide
PubChem CID21474362
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC NameN-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide
SMILESCC(=O)NCCn1ccc(=O)c(O)c1C(O)c1ccccc1
InChIInChI=1S/C16H18N2O4/c1-11(19)17-8-10-18-9-7-13(20)16(22)14(18)15(21)12-5-3-2-4-6-12/h2-7,9,15,21-22H,8,10H2,1H3,(H,17,19)
InChIKeyFVZCPWVETUIROO-UHFFFAOYSA-N
XLogP0.77
TPSA91.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide?
The IUPAC name of N-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide (CID 21474362) is N-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide.
What is the SMILES notation for N-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide?
The canonical SMILES for N-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide is CC(=O)NCCn1ccc(=O)c(O)c1C(O)c1ccccc1.
What is the InChIKey of N-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide?
The InChIKey is FVZCPWVETUIROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4/c1-11(19)17-8-10-18-9-7-13(20)16(22)14(18)15(21)12-5-3-2-4-6-12/h2-7,9,15,21-22H,8,10H2,1H3,(H,17,19).
What are the key properties of N-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide?
N-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide has a molecular weight of 302.33 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-hydroxy-2-[hydroxy(phenyl)methyl]-4-oxo-1-pyridinyl]ethyl]acetamide is sourced from PubChem (CID 21474362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).