1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate

C8H10F6N3O2P — CID 139198210

IUPAC1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.NC(=O)C[n+]1ccc(C(N)=O)cc1
InChIInChI=1S/C8H9N3O2.F6P/c9-7(12)5-11-3-1-6(2-4-11)8(10)13;1-7(2,3,4,5)6/h1-4H,5H2,(H3-,9,10,12,13);/q;-1/p+1
InChIKeyMFYCABOPAIMRIG-UHFFFAOYSA-O
MW325.15 g/mol
LogP1.94
Rot. Bonds3

About 1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate

1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate (PubChem CID 139198210) has the molecular formula C8H10F6N3O2P and a molecular weight of 325.15 g/mol. Its IUPAC name is 1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate.

Molecular Properties

Compound Name1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate
PubChem CID139198210
Molecular FormulaC8H10F6N3O2P
Molecular Weight325.15 g/mol
Exact Mass325.04
IUPAC Name1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate
SMILESF[P-](F)(F)(F)(F)F.NC(=O)C[n+]1ccc(C(N)=O)cc1
InChIInChI=1S/C8H9N3O2.F6P/c9-7(12)5-11-3-1-6(2-4-11)8(10)13;1-7(2,3,4,5)6/h1-4H,5H2,(H3-,9,10,12,13);/q;-1/p+1
InChIKeyMFYCABOPAIMRIG-UHFFFAOYSA-O
XLogP1.94
TPSA90.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.15
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[8-(4-carbamoylpyridin-1-ium-1-yl)octyl]pyridin-1-ium-4-carboxamide
CID 101399160
2-(4-methylpyridin-1-ium-1-yl)acetamide iodide
CID 2770190
1-(2-amino-2-oxoethyl)pyridin-1-ium-3-carboxamide bromide
CID 139196332
1-[2-(dipropylamino)-2-oxoethyl]pyridin-1-ium-4-carboxamide chloride
CID 126475954
2-[4-(1-hydroxyethyl)pyridin-1-ium-1-yl]acetamide
CID 20802846
1-(pentoxymethyl)pyridin-1-ium-4-carboxamide chloride
CID 11807386
1-(2-amino-2-oxoethyl)-N-benzylpyridin-1-ium-4-carboxamide chloride
CID 146051594
1-benzylpyridin-1-ium-4-carboxamide iodide
CID 19829097
2-(3-acetylpyridin-1-ium-1-yl)acetamide bromide
CID 23007435
1-[[2-(ethoxyiminomethyl)pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide
CID 72542341
1-(4-acetylpyridin-1-ium-1-yl)propan-2-one
CID 58160644
1-[[4-(hydroxyiminomethyl)-2-[(E)-hydroxyiminomethyl]pyridin-1-ium-1-yl]methoxymethyl]pyridin-1-ium-4-carboxamide
CID 172916187

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate?
The IUPAC name of 1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate (CID 139198210) is 1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate.
What is the SMILES notation for 1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate?
The canonical SMILES for 1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate is F[P-](F)(F)(F)(F)F.NC(=O)C[n+]1ccc(C(N)=O)cc1.
What is the InChIKey of 1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate?
The InChIKey is MFYCABOPAIMRIG-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H9N3O2.F6P/c9-7(12)5-11-3-1-6(2-4-11)8(10)13;1-7(2,3,4,5)6/h1-4H,5H2,(H3-,9,10,12,13);/q;-1/p+1.
What are the key properties of 1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate?
1-(2-amino-2-oxoethyl)pyridin-1-ium-4-carboxamide hexafluorophosphate has a molecular weight of 325.15 g/mol, XLogP of 1.94, 3 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)pyridin-1-ium-4-carboxamide hexafluorophosphate is sourced from PubChem (CID 139198210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).