N-(3H-pyridin-1-ium-5-yl)acetamide

C7H9N2O+ — CID 57029910

IUPACN-(3H-pyridin-1-ium-5-yl)acetamide
SMILESCC(=O)NC1=CCC=[N+]=C1
InChIInChI=1S/C7H8N2O/c1-6(10)9-7-3-2-4-8-5-7/h3-5H,2H2,1H3/p+1
InChIKeyDEUKYSOBMPCHJD-UHFFFAOYSA-O
MW137.16 g/mol
LogP-0.38
Rot. Bonds1

About N-(3H-pyridin-1-ium-5-yl)acetamide

N-(3H-pyridin-1-ium-5-yl)acetamide (PubChem CID 57029910) has the molecular formula C7H9N2O+ and a molecular weight of 137.16 g/mol. Its IUPAC name is N-(3H-pyridin-1-ium-5-yl)acetamide.

Molecular Properties

Compound NameN-(3H-pyridin-1-ium-5-yl)acetamide
PubChem CID57029910
Molecular FormulaC7H9N2O+
Molecular Weight137.16 g/mol
Exact Mass137.07
IUPAC NameN-(3H-pyridin-1-ium-5-yl)acetamide
SMILESCC(=O)NC1=CCC=[N+]=C1
InChIInChI=1S/C7H8N2O/c1-6(10)9-7-3-2-4-8-5-7/h3-5H,2H2,1H3/p+1
InChIKeyDEUKYSOBMPCHJD-UHFFFAOYSA-O
XLogP-0.38
TPSA43.20 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.16
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-(2-sulfanylidene-3H-pyridin-5-yl)acetamide
CID 57148932
N-(2-oxo-3H-pyridin-5-yl)acetamide
CID 57246209
6-(C,N-dimethylcarbonimidoyl)-5-ethyl-1H-pyrazin-2-one
CID 123620960
2-[(Z)-pent-2-en-2-yl]iminoacetamide
CID 142077923
N-(4H-azepin-5-yl)acetamide
CID 143108469
N-[(E)-1-methyliminopent-2-en-2-yl]propanamide
CID 170752233
N-(4-iminobut-2-en-2-yl)acetamide
CID 173515650
3-methylimino-N-[(E)-pent-2-en-2-yl]propanamide
CID 142859314
N-[(E)-1-methyliminobut-2-en-2-yl]acetamide
CID 147769597

Frequently Asked Questions

What is the IUPAC name of N-(3H-pyridin-1-ium-5-yl)acetamide?
The IUPAC name of N-(3H-pyridin-1-ium-5-yl)acetamide (CID 57029910) is N-(3H-pyridin-1-ium-5-yl)acetamide.
What is the SMILES notation for N-(3H-pyridin-1-ium-5-yl)acetamide?
The canonical SMILES for N-(3H-pyridin-1-ium-5-yl)acetamide is CC(=O)NC1=CCC=[N+]=C1.
What is the InChIKey of N-(3H-pyridin-1-ium-5-yl)acetamide?
The InChIKey is DEUKYSOBMPCHJD-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H8N2O/c1-6(10)9-7-3-2-4-8-5-7/h3-5H,2H2,1H3/p+1.
What are the key properties of N-(3H-pyridin-1-ium-5-yl)acetamide?
N-(3H-pyridin-1-ium-5-yl)acetamide has a molecular weight of 137.16 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3H-pyridin-1-ium-5-yl)acetamide is sourced from PubChem (CID 57029910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).