N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide

C16H18N2O3 — CID 110908908

IUPACN-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)NCc1ccccc1CO
InChIInChI=1S/C16H18N2O3/c19-12-14-6-2-1-5-13(14)11-17-15(20)8-10-18-9-4-3-7-16(18)21/h1-7,9,19H,8,10-12H2,(H,17,20)
InChIKeyUAKYYJFXGXEFAT-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.05
Rot. Bonds6

About N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide

N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 110908908) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID110908908
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESO=C(CCn1ccccc1=O)NCc1ccccc1CO
InChIInChI=1S/C16H18N2O3/c19-12-14-6-2-1-5-13(14)11-17-15(20)8-10-18-9-4-3-7-16(18)21/h1-7,9,19H,8,10-12H2,(H,17,20)
InChIKeyUAKYYJFXGXEFAT-UHFFFAOYSA-N
XLogP1.05
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979441
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
3-(2-oxo-1-pyridinyl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)propanamide
CID 78866152
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 78863438
3-(2-oxo-1-pyridinyl)-N-[(3-phenylmethoxyphenyl)methyl]propanamide
CID 87018968
N-[(6-methoxy-3-pyridinyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86979608
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-hydroxyphenyl)propanamide
CID 110909074
3-(2-oxo-1-pyridinyl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 86979553
N-[(1-hydroxycyclobutyl)methyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 111445552
2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide
CID 86996735
3-methyl-4-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 81063006
N-[[2-(methylsulfamoylmethyl)phenyl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 24644501

Frequently Asked Questions

What is the IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide (CID 110908908) is N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide is O=C(CCn1ccccc1=O)NCc1ccccc1CO.
What is the InChIKey of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is UAKYYJFXGXEFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c19-12-14-6-2-1-5-13(14)11-17-15(20)8-10-18-9-4-3-7-16(18)21/h1-7,9,19H,8,10-12H2,(H,17,20).
What are the key properties of N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide?
N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 286.33 g/mol, XLogP of 1.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(hydroxymethyl)phenyl]methyl]-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 110908908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).