N'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid

C11H15N5O2 — CID 160898215

IUPACN'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid
SMILESCCC(=O)O.NN=C(N)c1ccc2nccn2c1
InChIInChI=1S/C8H9N5.C3H6O2/c9-8(12-10)6-1-2-7-11-3-4-13(7)5-6;1-2-3(4)5/h1-5H,10H2,(H2,9,12);2H2,1H3,(H,4,5)
InChIKeySPDRPHGKGSXDRI-UHFFFAOYSA-N
MW249.27 g/mol
LogP0.39
Rot. Bonds2

About N'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid

N'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid (PubChem CID 160898215) has the molecular formula C11H15N5O2 and a molecular weight of 249.27 g/mol. Its IUPAC name is N'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid.

Molecular Properties

Compound NameN'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid
PubChem CID160898215
Molecular FormulaC11H15N5O2
Molecular Weight249.27 g/mol
Exact Mass249.12
IUPAC NameN'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid
SMILESCCC(=O)O.NN=C(N)c1ccc2nccn2c1
InChIInChI=1S/C8H9N5.C3H6O2/c9-8(12-10)6-1-2-7-11-3-4-13(7)5-6;1-2-3(4)5/h1-5H,10H2,(H2,9,12);2H2,1H3,(H,4,5)
InChIKeySPDRPHGKGSXDRI-UHFFFAOYSA-N
XLogP0.39
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid?
The IUPAC name of N'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid (CID 160898215) is N'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid.
What is the SMILES notation for N'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid?
The canonical SMILES for N'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid is CCC(=O)O.NN=C(N)c1ccc2nccn2c1.
What is the InChIKey of N'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid?
The InChIKey is SPDRPHGKGSXDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5.C3H6O2/c9-8(12-10)6-1-2-7-11-3-4-13(7)5-6;1-2-3(4)5/h1-5H,10H2,(H2,9,12);2H2,1H3,(H,4,5).
What are the key properties of N'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid?
N'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid has a molecular weight of 249.27 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-aminoimidazo[1,2-a]pyridine-6-carboximidamide;propanoic acid is sourced from PubChem (CID 160898215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).