sodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate

C10H11N2NaO3 — CID 153471960

IUPACsodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate
SMILESNc1cc(C(=O)[O-])cn(CC2CC2)c1=O.[Na+]
InChIInChI=1S/C10H12N2O3.Na/c11-8-3-7(10(14)15)5-12(9(8)13)4-6-1-2-6;/h3,5-6H,1-2,4,11H2,(H,14,15);/q;+1/p-1
InChIKeySSWSXRYMSSKJQI-UHFFFAOYSA-M
MW230.20 g/mol
LogP-3.79
Rot. Bonds3

About sodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate

sodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate (PubChem CID 153471960) has the molecular formula C10H11N2NaO3 and a molecular weight of 230.20 g/mol. Its IUPAC name is sodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namesodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate
PubChem CID153471960
Molecular FormulaC10H11N2NaO3
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Namesodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate
SMILESNc1cc(C(=O)[O-])cn(CC2CC2)c1=O.[Na+]
InChIInChI=1S/C10H12N2O3.Na/c11-8-3-7(10(14)15)5-12(9(8)13)4-6-1-2-6;/h3,5-6H,1-2,4,11H2,(H,14,15);/q;+1/p-1
InChIKeySSWSXRYMSSKJQI-UHFFFAOYSA-M
XLogP-3.79
TPSA88.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 5-3.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of sodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of sodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate (CID 153471960) is sodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for sodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for sodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate is Nc1cc(C(=O)[O-])cn(CC2CC2)c1=O.[Na+].
What is the InChIKey of sodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate?
The InChIKey is SSWSXRYMSSKJQI-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H12N2O3.Na/c11-8-3-7(10(14)15)5-12(9(8)13)4-6-1-2-6;/h3,5-6H,1-2,4,11H2,(H,14,15);/q;+1/p-1.
What are the key properties of sodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate?
sodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate has a molecular weight of 230.20 g/mol, XLogP of -3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 153471960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).