2-[(6-amino-3-pyridinyl)-methylamino]acetamide

C8H12N4O — CID 43374025

IUPAC2-[(6-amino-3-pyridinyl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1ccc(N)nc1
InChIInChI=1S/C8H12N4O/c1-12(5-8(10)13)6-2-3-7(9)11-4-6/h2-4H,5H2,1H3,(H2,9,11)(H2,10,13)
InChIKeyVPUJDZAFWGWGBQ-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.41
Rot. Bonds3

About 2-[(6-amino-3-pyridinyl)-methylamino]acetamide

2-[(6-amino-3-pyridinyl)-methylamino]acetamide (PubChem CID 43374025) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-[(6-amino-3-pyridinyl)-methylamino]acetamide.

Molecular Properties

Compound Name2-[(6-amino-3-pyridinyl)-methylamino]acetamide
PubChem CID43374025
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-[(6-amino-3-pyridinyl)-methylamino]acetamide
SMILESCN(CC(N)=O)c1ccc(N)nc1
InChIInChI=1S/C8H12N4O/c1-12(5-8(10)13)6-2-3-7(9)11-4-6/h2-4H,5H2,1H3,(H2,9,11)(H2,10,13)
InChIKeyVPUJDZAFWGWGBQ-UHFFFAOYSA-N
XLogP-0.41
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[6-[(1R)-1-hydroxypropyl]-3-pyridinyl]-methylamino]acetamide
CID 103938368
2-[(6-amino-3-pyridinyl)-methylamino]ethylcarbamic acid
CID 154385194
5-N-methyl-5-N-prop-2-enylpyridine-2,5-diamine
CID 83635531
N-(6-amino-3-pyridinyl)-N-methylbutanamide
CID 115268400
methyl N-(6-amino-3-pyridinyl)-N-methylcarbamate
CID 115268442
1-[[6-(2-amino-3-hydroxypropyl)-3-pyridinyl]-methylamino]propan-2-one
CID 123848862
2-[[6-(aminomethyl)-3-pyridinyl]-methylamino]-N-methylacetamide
CID 115486849
5-N-methyl-5-N-(2-phenylethyl)pyridine-2,5-diamine
CID 65482934
N-(6-amino-3-pyridinyl)-4-fluoro-N-methylbenzamide
CID 115268417
5-N-methyl-5-N-(thiophen-2-ylmethyl)pyridine-2,5-diamine
CID 43527362
5-N-methyl-5-N-[(1-methylimidazol-2-yl)methyl]pyridine-2,5-diamine
CID 63013748
5-N-butan-2-yl-5-N-methylpyridine-2,5-diamine
CID 43272602

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-3-pyridinyl)-methylamino]acetamide?
The IUPAC name of 2-[(6-amino-3-pyridinyl)-methylamino]acetamide (CID 43374025) is 2-[(6-amino-3-pyridinyl)-methylamino]acetamide.
What is the SMILES notation for 2-[(6-amino-3-pyridinyl)-methylamino]acetamide?
The canonical SMILES for 2-[(6-amino-3-pyridinyl)-methylamino]acetamide is CN(CC(N)=O)c1ccc(N)nc1.
What is the InChIKey of 2-[(6-amino-3-pyridinyl)-methylamino]acetamide?
The InChIKey is VPUJDZAFWGWGBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c1-12(5-8(10)13)6-2-3-7(9)11-4-6/h2-4H,5H2,1H3,(H2,9,11)(H2,10,13).
What are the key properties of 2-[(6-amino-3-pyridinyl)-methylamino]acetamide?
2-[(6-amino-3-pyridinyl)-methylamino]acetamide has a molecular weight of 180.21 g/mol, XLogP of -0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-3-pyridinyl)-methylamino]acetamide is sourced from PubChem (CID 43374025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).