sodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate

C11H13N2NaO4 — CID 23663356

IUPACsodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate
SMILESCOc1cc(C(=O)[O-])c(C(=O)NC(C)C)cn1.[Na+]
InChIInChI=1S/C11H14N2O4.Na/c1-6(2)13-10(14)8-5-12-9(17-3)4-7(8)11(15)16;/h4-6H,1-3H3,(H,13,14)(H,15,16);/q;+1/p-1
InChIKeyMVRDYKLCIALAAM-UHFFFAOYSA-M
MW260.23 g/mol
LogP-3.40
Rot. Bonds4

About sodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate

sodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate (PubChem CID 23663356) has the molecular formula C11H13N2NaO4 and a molecular weight of 260.23 g/mol. Its IUPAC name is sodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate.

Molecular Properties

Compound Namesodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate
PubChem CID23663356
Molecular FormulaC11H13N2NaO4
Molecular Weight260.23 g/mol
Exact Mass260.08
IUPAC Namesodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate
SMILESCOc1cc(C(=O)[O-])c(C(=O)NC(C)C)cn1.[Na+]
InChIInChI=1S/C11H14N2O4.Na/c1-6(2)13-10(14)8-5-12-9(17-3)4-7(8)11(15)16;/h4-6H,1-3H3,(H,13,14)(H,15,16);/q;+1/p-1
InChIKeyMVRDYKLCIALAAM-UHFFFAOYSA-M
XLogP-3.40
TPSA91.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.23
LogP ≤ 5-3.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate?
The IUPAC name of sodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate (CID 23663356) is sodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate.
What is the SMILES notation for sodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate?
The canonical SMILES for sodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate is COc1cc(C(=O)[O-])c(C(=O)NC(C)C)cn1.[Na+].
What is the InChIKey of sodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate?
The InChIKey is MVRDYKLCIALAAM-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H14N2O4.Na/c1-6(2)13-10(14)8-5-12-9(17-3)4-7(8)11(15)16;/h4-6H,1-3H3,(H,13,14)(H,15,16);/q;+1/p-1.
What are the key properties of sodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate?
sodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate has a molecular weight of 260.23 g/mol, XLogP of -3.40, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-methoxy-5-(propan-2-ylcarbamoyl)pyridine-4-carboxylate is sourced from PubChem (CID 23663356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).