3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide

C13H19N5 — CID 102625286

IUPAC3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)c1cccc2nccn12
InChIInChI=1S/C13H19N5/c1-3-17(9-10(2)13(14)15)12-6-4-5-11-16-7-8-18(11)12/h4-8,10H,3,9H2,1-2H3,(H3,14,15)
InChIKeyZCRQSLXVTDKPCN-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.73
Rot. Bonds5

About 3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide

3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide (PubChem CID 102625286) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is 3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide
PubChem CID102625286
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC Name3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN(CC)c1cccc2nccn12
InChIInChI=1S/C13H19N5/c1-3-17(9-10(2)13(14)15)12-6-4-5-11-16-7-8-18(11)12/h4-8,10H,3,9H2,1-2H3,(H3,14,15)
InChIKeyZCRQSLXVTDKPCN-UHFFFAOYSA-N
XLogP1.73
TPSA70.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide?
The IUPAC name of 3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide (CID 102625286) is 3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide.
What is the SMILES notation for 3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide?
The canonical SMILES for 3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN(CC)c1cccc2nccn12.
What is the InChIKey of 3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide?
The InChIKey is ZCRQSLXVTDKPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-3-17(9-10(2)13(14)15)12-6-4-5-11-16-7-8-18(11)12/h4-8,10H,3,9H2,1-2H3,(H3,14,15).
What are the key properties of 3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide?
3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide has a molecular weight of 245.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(imidazo[1,2-a]pyridin-5-yl)amino]-2-methylpropanimidamide is sourced from PubChem (CID 102625286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).