2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide

C9H13N3O2 — CID 80632785

IUPAC2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide
SMILESCN(CC(N)=O)c1ccc(CO)cn1
InChIInChI=1S/C9H13N3O2/c1-12(5-8(10)14)9-3-2-7(6-13)4-11-9/h2-4,13H,5-6H2,1H3,(H2,10,14)
InChIKeyRAGQKZOGWNEYCE-UHFFFAOYSA-N
MW195.22 g/mol
LogP-0.50
Rot. Bonds4

About 2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide

2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide (PubChem CID 80632785) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is 2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide.

Molecular Properties

Compound Name2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide
PubChem CID80632785
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Name2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide
SMILESCN(CC(N)=O)c1ccc(CO)cn1
InChIInChI=1S/C9H13N3O2/c1-12(5-8(10)14)9-3-2-7(6-13)4-11-9/h2-4,13H,5-6H2,1H3,(H2,10,14)
InChIKeyRAGQKZOGWNEYCE-UHFFFAOYSA-N
XLogP-0.50
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 80630822
2-[(5-formyl-2-pyridinyl)-methylamino]acetamide
CID 80637138
2-[(5-carbamothioyl-2-pyridinyl)-methylamino]acetamide
CID 43374278
[6-[methyl(propyl)amino]-3-pyridinyl]methanol
CID 61255396
2-[[5-(hydroxymethyl)-3-methyl-2-pyridinyl]-methylamino]acetamide
CID 80632786
[6-[methyl(2-methylsulfonylethyl)amino]-3-pyridinyl]methanol
CID 79849577
2-[[5-(aminomethyl)-2-pyridinyl]-ethylamino]acetamide
CID 103101253
[6-[methyl(propan-2-yl)amino]-3-pyridinyl]methanol
CID 61252794
[6-[cyclobutylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 62861713
[6-[furan-2-ylmethyl(methyl)amino]-3-pyridinyl]methanol
CID 61256036
2-[ethyl-[5-(methylaminomethyl)-2-pyridinyl]amino]acetamide
CID 103103171
2-[methyl-(4-methyl-2-pyridinyl)amino]acetamide
CID 130650937

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide?
The IUPAC name of 2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide (CID 80632785) is 2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide.
What is the SMILES notation for 2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide?
The canonical SMILES for 2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide is CN(CC(N)=O)c1ccc(CO)cn1.
What is the InChIKey of 2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide?
The InChIKey is RAGQKZOGWNEYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-12(5-8(10)14)9-3-2-7(6-13)4-11-9/h2-4,13H,5-6H2,1H3,(H2,10,14).
What are the key properties of 2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide?
2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide has a molecular weight of 195.22 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(hydroxymethyl)-2-pyridinyl]-methylamino]acetamide is sourced from PubChem (CID 80632785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).