1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride

C14H15ClN3O2+ — CID 126959733

IUPAC1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C[n+]1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H13N3O2.ClH/c15-13(18)10-17-8-4-5-11(9-17)14(19)16-12-6-2-1-3-7-12;/h1-9H,10H2,(H2-,15,16,18,19);1H/p+1
InChIKeyZAHDVJKVCAJZKA-UHFFFAOYSA-O
MW292.75 g/mol
LogP1.13
Rot. Bonds4

About 1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride

1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride (PubChem CID 126959733) has the molecular formula C14H15ClN3O2+ and a molecular weight of 292.75 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride
PubChem CID126959733
Molecular FormulaC14H15ClN3O2+
Molecular Weight292.75 g/mol
Exact Mass292.08
IUPAC Name1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride
SMILESCl.NC(=O)C[n+]1cccc(C(=O)Nc2ccccc2)c1
InChIInChI=1S/C14H13N3O2.ClH/c15-13(18)10-17-8-4-5-11(9-17)14(19)16-12-6-2-1-3-7-12;/h1-9H,10H2,(H2-,15,16,18,19);1H/p+1
InChIKeyZAHDVJKVCAJZKA-UHFFFAOYSA-O
XLogP1.13
TPSA76.07 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.75
LogP ≤ 51.13
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

N-[1-(2-amino-2-oxoethyl)pyridin-1-ium-3-yl]benzamide iodide
CID 126467738
N-(1-phenacylpyridin-1-ium-3-yl)benzamide
CID 3104420
1-(2-amino-2-oxoethyl)pyridin-1-ium-3-carboxamide bromide
CID 139196332
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid
CID 11473170
1-(2-anilino-2-oxoethyl)pyridin-1-ium-3-carboxylic acid bromide
CID 11473169
2-(3-acetylpyridin-1-ium-1-yl)acetamide bromide
CID 23007435
2-[3-[(benzylsulfonylamino)carbamoyl]pyridin-1-ium-1-yl]-N-phenylacetamide chloride
CID 10183080
1-[2-(4-ethylanilino)-2-oxoethyl]pyridin-1-ium-3-carboxamide
CID 8854307
4-[[2-(3-carbamoylpyridin-1-ium-1-yl)acetyl]amino]benzoate
CID 7064540
1-anilino-1-(1-phenacylpyridin-1-ium-3-carbonyl)urea
CID 87959157
molecular hydrogen;N-phenylbenzamide
CID 145238042
ethyl 1-(2-amino-2-oxoethyl)pyridin-1-ium-3-carboxylate;hydroiodide
CID 126957622

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride?
The IUPAC name of 1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride (CID 126959733) is 1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride?
The canonical SMILES for 1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride is Cl.NC(=O)C[n+]1cccc(C(=O)Nc2ccccc2)c1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride?
The InChIKey is ZAHDVJKVCAJZKA-UHFFFAOYSA-O. The full InChI is InChI=1S/C14H13N3O2.ClH/c15-13(18)10-17-8-4-5-11(9-17)14(19)16-12-6-2-1-3-7-12;/h1-9H,10H2,(H2-,15,16,18,19);1H/p+1.
What are the key properties of 1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride?
1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride has a molecular weight of 292.75 g/mol, XLogP of 1.13, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-2-oxoethyl)-N-phenylpyridin-1-ium-3-carboxamide;hydrochloride is sourced from PubChem (CID 126959733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).