N-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide

C8H11N5O2 — CID 164909065

IUPACN-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide
SMILESNc1ccc(NC(=O)CNC=O)nc1N
InChIInChI=1S/C8H11N5O2/c9-5-1-2-6(13-8(5)10)12-7(15)3-11-4-14/h1-2,4H,3,9H2,(H,11,14)(H3,10,12,13,15)
InChIKeyXGSGLJJHBAAQDL-UHFFFAOYSA-N
MW209.21 g/mol
LogP-1.07
Rot. Bonds4

About N-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide

N-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide (PubChem CID 164909065) has the molecular formula C8H11N5O2 and a molecular weight of 209.21 g/mol. Its IUPAC name is N-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide.

Molecular Properties

Compound NameN-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide
PubChem CID164909065
Molecular FormulaC8H11N5O2
Molecular Weight209.21 g/mol
Exact Mass209.09
IUPAC NameN-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide
SMILESNc1ccc(NC(=O)CNC=O)nc1N
InChIInChI=1S/C8H11N5O2/c9-5-1-2-6(13-8(5)10)12-7(15)3-11-4-14/h1-2,4H,3,9H2,(H,11,14)(H3,10,12,13,15)
InChIKeyXGSGLJJHBAAQDL-UHFFFAOYSA-N
XLogP-1.07
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide?
The IUPAC name of N-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide (CID 164909065) is N-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide.
What is the SMILES notation for N-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide?
The canonical SMILES for N-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide is Nc1ccc(NC(=O)CNC=O)nc1N.
What is the InChIKey of N-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide?
The InChIKey is XGSGLJJHBAAQDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O2/c9-5-1-2-6(13-8(5)10)12-7(15)3-11-4-14/h1-2,4H,3,9H2,(H,11,14)(H3,10,12,13,15).
What are the key properties of N-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide?
N-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide has a molecular weight of 209.21 g/mol, XLogP of -1.07, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5,6-diamino-2-pyridinyl)-2-formamidoacetamide is sourced from PubChem (CID 164909065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).