N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide

C11H14N3O3+ — CID 59223376

IUPACN-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide
SMILESCC(=O)C[n+]1cccc(C(=O)NCC(N)=O)c1
InChIInChI=1S/C11H13N3O3/c1-8(15)6-14-4-2-3-9(7-14)11(17)13-5-10(12)16/h2-4,7H,5-6H2,1H3,(H2-,12,13,16,17)/p+1
InChIKeyZDHPZLJFOODMKR-UHFFFAOYSA-O
MW236.25 g/mol
LogP-1.22
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide

N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide (PubChem CID 59223376) has the molecular formula C11H14N3O3+ and a molecular weight of 236.25 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide
PubChem CID59223376
Molecular FormulaC11H14N3O3+
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC NameN-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide
SMILESCC(=O)C[n+]1cccc(C(=O)NCC(N)=O)c1
InChIInChI=1S/C11H13N3O3/c1-8(15)6-14-4-2-3-9(7-14)11(17)13-5-10(12)16/h2-4,7H,5-6H2,1H3,(H2-,12,13,16,17)/p+1
InChIKeyZDHPZLJFOODMKR-UHFFFAOYSA-O
XLogP-1.22
TPSA93.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 5-1.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-acetylpyridin-1-ium-1-yl)acetamide bromide
CID 23007435
3-acetamido-N-(2-amino-2-oxoethyl)benzamide
CID 47116875
3-amino-N-(2-amino-2-oxoethyl)benzamide
CID 16775093
1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride
CID 126959733
1-(2-amino-2-oxoethyl)pyridin-1-ium-3-carboxamide bromide
CID 139196332
N-(2-amino-2-oxoethyl)-3-(125I)iodo(125I)benzamide
CID 89417127
N-(2-amino-2-oxoethyl)-4-ethylbenzamide
CID 60668438
1-[2-(dimethylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide
CID 4038589
N-[1-(2-amino-2-oxoethyl)pyridin-1-ium-3-yl]benzamide iodide
CID 126467738
N-(2-amino-2-oxoethyl)-3-(aminosulfanylmethylamino)benzamide
CID 140989186
ethyl 1-(2-amino-2-oxoethyl)pyridin-1-ium-3-carboxylate;hydroiodide
CID 126957622
[(1-methylpyridin-1-ium-3-carbonyl)amino]methyl acetate
CID 138705846

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide (CID 59223376) is N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide is CC(=O)C[n+]1cccc(C(=O)NCC(N)=O)c1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide?
The InChIKey is ZDHPZLJFOODMKR-UHFFFAOYSA-O. The full InChI is InChI=1S/C11H13N3O3/c1-8(15)6-14-4-2-3-9(7-14)11(17)13-5-10(12)16/h2-4,7H,5-6H2,1H3,(H2-,12,13,16,17)/p+1.
What are the key properties of N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide?
N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide has a molecular weight of 236.25 g/mol, XLogP of -1.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-1-(2-oxopropyl)pyridin-1-ium-3-carboxamide is sourced from PubChem (CID 59223376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).