2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide

C8H12N4O — CID 83618831

IUPAC2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide
SMILESNCC(=O)Nc1cccc(CN)n1
InChIInChI=1S/C8H12N4O/c9-4-6-2-1-3-7(11-6)12-8(13)5-10/h1-3H,4-5,9-10H2,(H,11,12,13)
InChIKeyQQQAUHPOCSUEDI-UHFFFAOYSA-N
MW180.21 g/mol
LogP-0.56
Rot. Bonds3

About 2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide

2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide (PubChem CID 83618831) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide
PubChem CID83618831
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide
SMILESNCC(=O)Nc1cccc(CN)n1
InChIInChI=1S/C8H12N4O/c9-4-6-2-1-3-7(11-6)12-8(13)5-10/h1-3H,4-5,9-10H2,(H,11,12,13)
InChIKeyQQQAUHPOCSUEDI-UHFFFAOYSA-N
XLogP-0.56
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(aminomethyl)-2-pyridinyl]-3-methylbutanamide
CID 82343819
N-[6-(aminomethyl)-2-pyridinyl]-2-(dimethylamino)acetamide
CID 165487357
N-[6-(aminomethyl)-2-pyridinyl]-4-oxo-4-phenylbutanamide
CID 82343885
N-[6-(aminomethyl)-2-pyridinyl]-2-cyclohexylacetamide
CID 82343887
N-[6-(aminomethyl)-2-pyridinyl]-2-methylbenzamide
CID 82343825
1-[6-(aminomethyl)-2-pyridinyl]-3-(2-methylpropyl)urea
CID 165487408
1-[6-(aminomethyl)-2-pyridinyl]-3-butylurea
CID 165487363
2-amino-N-quinolin-2-ylacetamide
CID 54505370
N-(6-ethyl-2-pyridinyl)butanamide
CID 66596264
N-[6-(aminomethyl)-2-pyridinyl]-3,4-dimethoxybenzamide
CID 82343837
N-[6-(propanoylamino)-2-pyridinyl]propanamide
CID 835275
N-[6-(hydroxymethyl)-2-pyridinyl]pentanamide
CID 82343736

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide?
The IUPAC name of 2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide (CID 83618831) is 2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide.
What is the SMILES notation for 2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide?
The canonical SMILES for 2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide is NCC(=O)Nc1cccc(CN)n1.
What is the InChIKey of 2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide?
The InChIKey is QQQAUHPOCSUEDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O/c9-4-6-2-1-3-7(11-6)12-8(13)5-10/h1-3H,4-5,9-10H2,(H,11,12,13).
What are the key properties of 2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide?
2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide has a molecular weight of 180.21 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-(aminomethyl)-2-pyridinyl]acetamide is sourced from PubChem (CID 83618831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).