3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one

C13H14N2O2 — CID 144791037

IUPAC3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one
SMILESCc1cccc(-c2c[nH]c(=O)c(N)c2)c1CO
InChIInChI=1S/C13H14N2O2/c1-8-3-2-4-10(11(8)7-16)9-5-12(14)13(17)15-6-9/h2-6,16H,7,14H2,1H3,(H,15,17)
InChIKeyHOIHOPBHECJODP-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.42
Rot. Bonds2

About 3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one

3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one (PubChem CID 144791037) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one
PubChem CID144791037
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one
SMILESCc1cccc(-c2c[nH]c(=O)c(N)c2)c1CO
InChIInChI=1S/C13H14N2O2/c1-8-3-2-4-10(11(8)7-16)9-5-12(14)13(17)15-6-9/h2-6,16H,7,14H2,1H3,(H,15,17)
InChIKeyHOIHOPBHECJODP-UHFFFAOYSA-N
XLogP1.42
TPSA79.11 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-(2-fluorophenyl)-1H-pyridin-2-one
CID 82076872
3-amino-5-(4-methylphenyl)-1H-pyridin-2-one
CID 82076397
1-[3-[2-(hydroxymethyl)-3-methylphenyl]phenyl]cyclopropane-1-carboxylic acid
CID 167841233
4-[2-[[2-(4-hydroxyphenyl)-6-methylphenyl]methyl]-3-methylphenyl]phenol
CID 154133562
3-amino-5-[6-[[(2S)-1-hydroxybutan-2-yl]amino]-2-pyridinyl]-1H-pyridin-2-one
CID 90261455
2-[2-(hydroxymethyl)-3-methylphenyl]benzoic acid
CID 66966199
acetic acid;(2,6-dimethylphenyl)methanol
CID 71387321
2-(hydroxymethyl)-3-methylphenol
CID 10997099
(2-ethyl-6-methylphenyl)methanol
CID 52987948
4-(2,3-dimethylphenyl)-1H-pyrrole-2-carbaldehyde
CID 117001506
3-amino-1-methyl-5-(2-methylphenyl)pyridin-2-one
CID 117222135
5-isoquinolin-5-yl-3-methyl-1H-pyridin-2-one
CID 83131231

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one?
The IUPAC name of 3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one (CID 144791037) is 3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one?
The canonical SMILES for 3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one is Cc1cccc(-c2c[nH]c(=O)c(N)c2)c1CO.
What is the InChIKey of 3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one?
The InChIKey is HOIHOPBHECJODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-8-3-2-4-10(11(8)7-16)9-5-12(14)13(17)15-6-9/h2-6,16H,7,14H2,1H3,(H,15,17).
What are the key properties of 3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one?
3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one has a molecular weight of 230.27 g/mol, XLogP of 1.42, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[2-(hydroxymethyl)-3-methylphenyl]-1H-pyridin-2-one is sourced from PubChem (CID 144791037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).