N-carbamoyl-2-pyridin-1-ium-1-ylacetamide

C8H10N3O2+ — CID 87815999

IUPACN-carbamoyl-2-pyridin-1-ium-1-ylacetamide
SMILESNC(=O)NC(=O)C[n+]1ccccc1
InChIInChI=1S/C8H9N3O2/c9-8(13)10-7(12)6-11-4-2-1-3-5-11/h1-5H,6H2,(H2-,9,10,12,13)/p+1
InChIKeyDKSQLXASNDMZCM-UHFFFAOYSA-O
MW180.19 g/mol
LogP-0.83
Rot. Bonds2

About N-carbamoyl-2-pyridin-1-ium-1-ylacetamide

N-carbamoyl-2-pyridin-1-ium-1-ylacetamide (PubChem CID 87815999) has the molecular formula C8H10N3O2+ and a molecular weight of 180.19 g/mol. Its IUPAC name is N-carbamoyl-2-pyridin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-carbamoyl-2-pyridin-1-ium-1-ylacetamide
PubChem CID87815999
Molecular FormulaC8H10N3O2+
Molecular Weight180.19 g/mol
Exact Mass180.08
IUPAC NameN-carbamoyl-2-pyridin-1-ium-1-ylacetamide
SMILESNC(=O)NC(=O)C[n+]1ccccc1
InChIInChI=1S/C8H9N3O2/c9-8(13)10-7(12)6-11-4-2-1-3-5-11/h1-5H,6H2,(H2-,9,10,12,13)/p+1
InChIKeyDKSQLXASNDMZCM-UHFFFAOYSA-O
XLogP-0.83
TPSA76.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.19
LogP ≤ 5-0.83
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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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-pyridin-1-ium-1-ylacetamide?
The IUPAC name of N-carbamoyl-2-pyridin-1-ium-1-ylacetamide (CID 87815999) is N-carbamoyl-2-pyridin-1-ium-1-ylacetamide.
What is the SMILES notation for N-carbamoyl-2-pyridin-1-ium-1-ylacetamide?
The canonical SMILES for N-carbamoyl-2-pyridin-1-ium-1-ylacetamide is NC(=O)NC(=O)C[n+]1ccccc1.
What is the InChIKey of N-carbamoyl-2-pyridin-1-ium-1-ylacetamide?
The InChIKey is DKSQLXASNDMZCM-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9N3O2/c9-8(13)10-7(12)6-11-4-2-1-3-5-11/h1-5H,6H2,(H2-,9,10,12,13)/p+1.
What are the key properties of N-carbamoyl-2-pyridin-1-ium-1-ylacetamide?
N-carbamoyl-2-pyridin-1-ium-1-ylacetamide has a molecular weight of 180.19 g/mol, XLogP of -0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-pyridin-1-ium-1-ylacetamide is sourced from PubChem (CID 87815999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).