N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide

C9H12N2O2 — CID 178150584

IUPACN-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncc(CO)cc1C
InChIInChI=1S/C9H12N2O2/c1-6-3-8(5-12)4-10-9(6)11-7(2)13/h3-4,12H,5H2,1-2H3,(H,10,11,13)
InChIKeyWPLOEAXOQZFTJY-UHFFFAOYSA-N
MW180.21 g/mol
LogP0.84
Rot. Bonds2

About N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide

N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide (PubChem CID 178150584) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide
PubChem CID178150584
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC NameN-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ncc(CO)cc1C
InChIInChI=1S/C9H12N2O2/c1-6-3-8(5-12)4-10-9(6)11-7(2)13/h3-4,12H,5H2,1-2H3,(H,10,11,13)
InChIKeyWPLOEAXOQZFTJY-UHFFFAOYSA-N
XLogP0.84
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide?
The IUPAC name of N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide (CID 178150584) is N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide is CC(=O)Nc1ncc(CO)cc1C.
What is the InChIKey of N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide?
The InChIKey is WPLOEAXOQZFTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-6-3-8(5-12)4-10-9(6)11-7(2)13/h3-4,12H,5H2,1-2H3,(H,10,11,13).
What are the key properties of N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide?
N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide has a molecular weight of 180.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)-3-methyl-2-pyridinyl]acetamide is sourced from PubChem (CID 178150584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).