disodium;2-phosphonato-N-pyridin-2-ylacetamide

C7H7N2Na2O4P — CID 53322963

IUPACdisodium;2-phosphonato-N-pyridin-2-ylacetamide
SMILESO=C(CP(=O)([O-])[O-])Nc1ccccn1.[Na+].[Na+]
InChIInChI=1S/C7H9N2O4P.2Na/c10-7(5-14(11,12)13)9-6-3-1-2-4-8-6;;/h1-4H,5H2,(H,8,9,10)(H2,11,12,13);;/q;2*+1/p-2
InChIKeyIFFYHNQZVOAEJC-UHFFFAOYSA-L
MW260.10 g/mol
LogP-7.06
Rot. Bonds3

About disodium;2-phosphonato-N-pyridin-2-ylacetamide

disodium;2-phosphonato-N-pyridin-2-ylacetamide (PubChem CID 53322963) has the molecular formula C7H7N2Na2O4P and a molecular weight of 260.10 g/mol. Its IUPAC name is disodium;2-phosphonato-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Namedisodium;2-phosphonato-N-pyridin-2-ylacetamide
PubChem CID53322963
Molecular FormulaC7H7N2Na2O4P
Molecular Weight260.10 g/mol
Exact Mass259.99
IUPAC Namedisodium;2-phosphonato-N-pyridin-2-ylacetamide
SMILESO=C(CP(=O)([O-])[O-])Nc1ccccn1.[Na+].[Na+]
InChIInChI=1S/C7H9N2O4P.2Na/c10-7(5-14(11,12)13)9-6-3-1-2-4-8-6;;/h1-4H,5H2,(H,8,9,10)(H2,11,12,13);;/q;2*+1/p-2
InChIKeyIFFYHNQZVOAEJC-UHFFFAOYSA-L
XLogP-7.06
TPSA105.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 5-7.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N,N'-dipyridin-2-ylbutanediamide
CID 3684644
3-amino-3-methyl-N-pyridin-2-ylbutanamide
CID 64684321
N-pyridin-2-yl-2-pyridin-3-yloxyacetamide
CID 110487862
2-methylsulfanyl-N-pyridin-2-ylacetamide
CID 130725350
2-amino-4-oxo-4-(pyridin-2-ylamino)butanoic acid
CID 115180971
molecular hydrogen;N-pyridin-2-ylbutanamide
CID 142960531
bicyclo[2.2.1]hepta-1,3,5-trien-7-one;pyridin-2-ylurea
CID 67884901
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
1-carbamoyl-3-pyridin-2-ylurea
CID 564989
3-(4-aminophenyl)-N-pyridin-2-ylpropanamide
CID 28713222
5-methyl-N-pyridin-2-yl-1,2-oxazole-3-carboxamide
CID 1247385
N-pyridin-2-yl-2-pyridin-2-ylsulfanylacetamide
CID 687330

Frequently Asked Questions

What is the IUPAC name of disodium;2-phosphonato-N-pyridin-2-ylacetamide?
The IUPAC name of disodium;2-phosphonato-N-pyridin-2-ylacetamide (CID 53322963) is disodium;2-phosphonato-N-pyridin-2-ylacetamide.
What is the SMILES notation for disodium;2-phosphonato-N-pyridin-2-ylacetamide?
The canonical SMILES for disodium;2-phosphonato-N-pyridin-2-ylacetamide is O=C(CP(=O)([O-])[O-])Nc1ccccn1.[Na+].[Na+].
What is the InChIKey of disodium;2-phosphonato-N-pyridin-2-ylacetamide?
The InChIKey is IFFYHNQZVOAEJC-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H9N2O4P.2Na/c10-7(5-14(11,12)13)9-6-3-1-2-4-8-6;;/h1-4H,5H2,(H,8,9,10)(H2,11,12,13);;/q;2*+1/p-2.
What are the key properties of disodium;2-phosphonato-N-pyridin-2-ylacetamide?
disodium;2-phosphonato-N-pyridin-2-ylacetamide has a molecular weight of 260.10 g/mol, XLogP of -7.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;2-phosphonato-N-pyridin-2-ylacetamide is sourced from PubChem (CID 53322963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).