sodium N-(1,8-naphthyridin-2-yl)nitrous amide

C8H6N4NaO+ — CID 54607944

IUPACsodium N-(1,8-naphthyridin-2-yl)nitrous amide
SMILESO=NNc1ccc2cccnc2n1.[Na+]
InChIInChI=1S/C8H6N4O.Na/c13-12-11-7-4-3-6-2-1-5-9-8(6)10-7;/h1-5H,(H,9,10,11,13);/q;+1
InChIKeyWBERYNONSKRSTM-UHFFFAOYSA-N
MW197.15 g/mol
LogP-1.27
Rot. Bonds2

About sodium N-(1,8-naphthyridin-2-yl)nitrous amide

sodium N-(1,8-naphthyridin-2-yl)nitrous amide (PubChem CID 54607944) has the molecular formula C8H6N4NaO+ and a molecular weight of 197.15 g/mol. Its IUPAC name is sodium N-(1,8-naphthyridin-2-yl)nitrous amide.

Molecular Properties

Compound Namesodium N-(1,8-naphthyridin-2-yl)nitrous amide
PubChem CID54607944
Molecular FormulaC8H6N4NaO+
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Namesodium N-(1,8-naphthyridin-2-yl)nitrous amide
SMILESO=NNc1ccc2cccnc2n1.[Na+]
InChIInChI=1S/C8H6N4O.Na/c13-12-11-7-4-3-6-2-1-5-9-8(6)10-7;/h1-5H,(H,9,10,11,13);/q;+1
InChIKeyWBERYNONSKRSTM-UHFFFAOYSA-N
XLogP-1.27
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 5-1.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze sodium N-(1,8-naphthyridin-2-yl)nitrous amide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of sodium N-(1,8-naphthyridin-2-yl)nitrous amide?
The IUPAC name of sodium N-(1,8-naphthyridin-2-yl)nitrous amide (CID 54607944) is sodium N-(1,8-naphthyridin-2-yl)nitrous amide.
What is the SMILES notation for sodium N-(1,8-naphthyridin-2-yl)nitrous amide?
The canonical SMILES for sodium N-(1,8-naphthyridin-2-yl)nitrous amide is O=NNc1ccc2cccnc2n1.[Na+].
What is the InChIKey of sodium N-(1,8-naphthyridin-2-yl)nitrous amide?
The InChIKey is WBERYNONSKRSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N4O.Na/c13-12-11-7-4-3-6-2-1-5-9-8(6)10-7;/h1-5H,(H,9,10,11,13);/q;+1.
What are the key properties of sodium N-(1,8-naphthyridin-2-yl)nitrous amide?
sodium N-(1,8-naphthyridin-2-yl)nitrous amide has a molecular weight of 197.15 g/mol, XLogP of -1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium N-(1,8-naphthyridin-2-yl)nitrous amide is sourced from PubChem (CID 54607944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).