1-aminopyridin-1-ium-3-carboxamide;hydrochloride

C6H9ClN3O+ — CID 578811

IUPAC1-aminopyridin-1-ium-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc[n+](N)c1
InChIInChI=1S/C6H7N3O.ClH/c7-6(10)5-2-1-3-9(8)4-5;/h1-4H,8H2,(H-,7,10);1H/p+1
InChIKeyNJIRAZXIBRVIKF-UHFFFAOYSA-O
MW174.61 g/mol
LogP-0.79
Rot. Bonds1

About 1-aminopyridin-1-ium-3-carboxamide;hydrochloride

1-aminopyridin-1-ium-3-carboxamide;hydrochloride (PubChem CID 578811) has the molecular formula C6H9ClN3O+ and a molecular weight of 174.61 g/mol. Its IUPAC name is 1-aminopyridin-1-ium-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-aminopyridin-1-ium-3-carboxamide;hydrochloride
PubChem CID578811
Molecular FormulaC6H9ClN3O+
Molecular Weight174.61 g/mol
Exact Mass174.04
IUPAC Name1-aminopyridin-1-ium-3-carboxamide;hydrochloride
SMILESCl.NC(=O)c1ccc[n+](N)c1
InChIInChI=1S/C6H7N3O.ClH/c7-6(10)5-2-1-3-9(8)4-5;/h1-4H,8H2,(H-,7,10);1H/p+1
InChIKeyNJIRAZXIBRVIKF-UHFFFAOYSA-O
XLogP-0.79
TPSA72.99 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.61
LogP ≤ 5-0.79
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-amino-2-oxoethyl)pyridin-1-ium-3-carboxamide bromide
CID 139196332
1-(trideuterio(113C)methyl)pyridin-1-ium-3-carboxamide iodide
CID 163322660
1-propylpyridin-1-ium-3-carboxamide bromide
CID 12761071
1-(2,3,4,5,6-pentadeuteriophenyl)pyridin-1-ium-3-carboxamide chloride
CID 13158387
1-[2-(dimethylamino)-2-oxoethyl]pyridin-1-ium-3-carboxamide
CID 4038589
benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
1-[(2R,3R,4S)-3,4-dihydroxyoxolan-2-yl]pyridin-1-ium-3-carboxamide
CID 175606728
1-[(2,6-dichlorophenyl)methyl]pyridin-1-ium-3-carboxamide bromide
CID 71354489
1-[(2R,3R,4R)-3,4-dihydroxy-2,3,4,5-tetrahydrofuran-5-ylium-2-yl]pyridin-1-ium-3-carboxamide
CID 154573604
1-dodecylpyridin-1-ium-3-carboxamide;hydrobromide
CID 126959750
1-dodecylpyridin-1-ium-3-carboxamide iodide
CID 10598096

Frequently Asked Questions

What is the IUPAC name of 1-aminopyridin-1-ium-3-carboxamide;hydrochloride?
The IUPAC name of 1-aminopyridin-1-ium-3-carboxamide;hydrochloride (CID 578811) is 1-aminopyridin-1-ium-3-carboxamide;hydrochloride.
What is the SMILES notation for 1-aminopyridin-1-ium-3-carboxamide;hydrochloride?
The canonical SMILES for 1-aminopyridin-1-ium-3-carboxamide;hydrochloride is Cl.NC(=O)c1ccc[n+](N)c1.
What is the InChIKey of 1-aminopyridin-1-ium-3-carboxamide;hydrochloride?
The InChIKey is NJIRAZXIBRVIKF-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7N3O.ClH/c7-6(10)5-2-1-3-9(8)4-5;/h1-4H,8H2,(H-,7,10);1H/p+1.
What are the key properties of 1-aminopyridin-1-ium-3-carboxamide;hydrochloride?
1-aminopyridin-1-ium-3-carboxamide;hydrochloride has a molecular weight of 174.61 g/mol, XLogP of -0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopyridin-1-ium-3-carboxamide;hydrochloride is sourced from PubChem (CID 578811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).