2-(2-aminopyridin-1-ium-1-yl)acetamide

C7H10N3O+ — CID 174791987

IUPAC2-(2-aminopyridin-1-ium-1-yl)acetamide
SMILESNC(=O)C[n+]1ccccc1N
InChIInChI=1S/C7H9N3O/c8-6-3-1-2-4-10(6)5-7(9)11/h1-4,8H,5H2,(H2,9,11)/p+1
InChIKeyVKDQZXXUZNRWJA-UHFFFAOYSA-O
MW152.18 g/mol
LogP-0.96
Rot. Bonds2

About 2-(2-aminopyridin-1-ium-1-yl)acetamide

2-(2-aminopyridin-1-ium-1-yl)acetamide (PubChem CID 174791987) has the molecular formula C7H10N3O+ and a molecular weight of 152.18 g/mol. Its IUPAC name is 2-(2-aminopyridin-1-ium-1-yl)acetamide.

Molecular Properties

Compound Name2-(2-aminopyridin-1-ium-1-yl)acetamide
PubChem CID174791987
Molecular FormulaC7H10N3O+
Molecular Weight152.18 g/mol
Exact Mass152.08
IUPAC Name2-(2-aminopyridin-1-ium-1-yl)acetamide
SMILESNC(=O)C[n+]1ccccc1N
InChIInChI=1S/C7H9N3O/c8-6-3-1-2-4-10(6)5-7(9)11/h1-4,8H,5H2,(H2,9,11)/p+1
InChIKeyVKDQZXXUZNRWJA-UHFFFAOYSA-O
XLogP-0.96
TPSA72.99 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 5-0.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

1-(2-methylprop-2-enyl)pyridin-1-ium-2-amine chloride
CID 139030566
ethyl 3-(2-aminopyridin-1-ium-1-yl)-2-oxopropanoate bromide
CID 43811244
1-[5-(2-aminopyridin-1-ium-1-yl)pentyl]pyridin-1-ium-2-amine dibromide
CID 138811091
2-(4-methylquinolin-1-ium-1-yl)acetamide
CID 3277124
1-(methoxymethyl)pyridin-1-ium-2-amine hydroxide
CID 162265577
1-(benzotriazol-1-ylmethyl)pyridin-1-ium-2-amine
CID 3711305
1-phenacylpyridin-1-ium-2-carboxamide
CID 26612065
2-[1-(2-hydroxyethyl)pyridin-1-ium-2-yl]acetamide chloride
CID 67934614
1-hexylpyridin-1-ium-2-amine
CID 12924167
2-[1-(2-amino-2-oxoethyl)pyridin-1-ium-2-yl]ethyl octadecanoate chloride
CID 175233638
2-(3-ethylbenzimidazol-1-ium-1-yl)acetamide
CID 102113083
1-(2-amino-2-oxoethyl)pyridin-1-ium-3-carboxamide bromide
CID 139196332

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminopyridin-1-ium-1-yl)acetamide?
The IUPAC name of 2-(2-aminopyridin-1-ium-1-yl)acetamide (CID 174791987) is 2-(2-aminopyridin-1-ium-1-yl)acetamide.
What is the SMILES notation for 2-(2-aminopyridin-1-ium-1-yl)acetamide?
The canonical SMILES for 2-(2-aminopyridin-1-ium-1-yl)acetamide is NC(=O)C[n+]1ccccc1N.
What is the InChIKey of 2-(2-aminopyridin-1-ium-1-yl)acetamide?
The InChIKey is VKDQZXXUZNRWJA-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H9N3O/c8-6-3-1-2-4-10(6)5-7(9)11/h1-4,8H,5H2,(H2,9,11)/p+1.
What are the key properties of 2-(2-aminopyridin-1-ium-1-yl)acetamide?
2-(2-aminopyridin-1-ium-1-yl)acetamide has a molecular weight of 152.18 g/mol, XLogP of -0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminopyridin-1-ium-1-yl)acetamide is sourced from PubChem (CID 174791987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).