disodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide

C11H5N3Na2O2 — CID 72751121

IUPACdisodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide
SMILES[N-]=C=CC(=O)c1ccc(C(=O)C=C=[N-])nc1.[Na+].[Na+]
InChIInChI=1S/C11H5N3O2.2Na/c12-5-3-10(15)8-1-2-9(14-7-8)11(16)4-6-13;;/h1-4,7H;;/q-2;2*+1
InChIKeyOXYSSTKFDLLAKT-UHFFFAOYSA-N
MW257.16 g/mol
LogP-4.95
Rot. Bonds4

About disodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide

disodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide (PubChem CID 72751121) has the molecular formula C11H5N3Na2O2 and a molecular weight of 257.16 g/mol. Its IUPAC name is disodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide.

Molecular Properties

Compound Namedisodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide
PubChem CID72751121
Molecular FormulaC11H5N3Na2O2
Molecular Weight257.16 g/mol
Exact Mass257.02
IUPAC Namedisodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide
SMILES[N-]=C=CC(=O)c1ccc(C(=O)C=C=[N-])nc1.[Na+].[Na+]
InChIInChI=1S/C11H5N3O2.2Na/c12-5-3-10(15)8-1-2-9(14-7-8)11(16)4-6-13;;/h1-4,7H;;/q-2;2*+1
InChIKeyOXYSSTKFDLLAKT-UHFFFAOYSA-N
XLogP-4.95
TPSA91.63 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 5-4.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3-oxo-3-phenylprop-1-enylidene)azanide
CID 101031134
pyridine-2,5-dicarboxylic acid
CID 158970171
6-acetylpyridine-3-carboxylic acid
CID 22323784
[6-(pyrrolidine-1-carbonyl)-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 3487323
1-(5-prop-1-en-2-yl-2-pyridinyl)ethanone
CID 45086200
5-(1-cyanoethenyl)pyridine-2-carbonyl cyanide
CID 166919751
lithium 5-carbamoylpyridine-2-carboxylate
CID 157023289
5-benzoylpyridine-2-carboxylic acid
CID 165358123
6-[tert-butyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 115116607
5-(4-oxopent-2-en-2-yl)pyridine-2-carboxamide
CID 69289910
6-prop-1-en-2-ylpyridine-3-carboxamide
CID 123173194
2-N,5-N-bis(prop-2-enyl)pyridine-2,5-dicarboxamide
CID 4069560

Frequently Asked Questions

What is the IUPAC name of disodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide?
The IUPAC name of disodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide (CID 72751121) is disodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide.
What is the SMILES notation for disodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide?
The canonical SMILES for disodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide is [N-]=C=CC(=O)c1ccc(C(=O)C=C=[N-])nc1.[Na+].[Na+].
What is the InChIKey of disodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide?
The InChIKey is OXYSSTKFDLLAKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5N3O2.2Na/c12-5-3-10(15)8-1-2-9(14-7-8)11(16)4-6-13;;/h1-4,7H;;/q-2;2*+1.
What are the key properties of disodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide?
disodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide has a molecular weight of 257.16 g/mol, XLogP of -4.95, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;[3-[5-(3-azanidylideneprop-2-enoyl)-2-pyridinyl]-3-oxoprop-1-enylidene]azanide is sourced from PubChem (CID 72751121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).