N-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide

C13H16N6O2 — CID 143109504

IUPACN-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide
SMILES[H]/N=C(\NC(C)=O)c1ccn2cc(NC(=O)NCC)nc2c1
InChIInChI=1S/C13H16N6O2/c1-3-15-13(21)18-10-7-19-5-4-9(6-11(19)17-10)12(14)16-8(2)20/h4-7H,3H2,1-2H3,(H2,14,16,20)(H2,15,18,21)
InChIKeyVXDUYHRKNYKYNP-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.94
Rot. Bonds3

About N-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide

N-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide (PubChem CID 143109504) has the molecular formula C13H16N6O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide.

Molecular Properties

Compound NameN-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide
PubChem CID143109504
Molecular FormulaC13H16N6O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC NameN-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide
SMILES[H]/N=C(\NC(C)=O)c1ccn2cc(NC(=O)NCC)nc2c1
InChIInChI=1S/C13H16N6O2/c1-3-15-13(21)18-10-7-19-5-4-9(6-11(19)17-10)12(14)16-8(2)20/h4-7H,3H2,1-2H3,(H2,14,16,20)(H2,15,18,21)
InChIKeyVXDUYHRKNYKYNP-UHFFFAOYSA-N
XLogP0.94
TPSA111.38 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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 N-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide?
The IUPAC name of N-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide (CID 143109504) is N-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide.
What is the SMILES notation for N-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide?
The canonical SMILES for N-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide is [H]/N=C(\NC(C)=O)c1ccn2cc(NC(=O)NCC)nc2c1.
What is the InChIKey of N-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide?
The InChIKey is VXDUYHRKNYKYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O2/c1-3-15-13(21)18-10-7-19-5-4-9(6-11(19)17-10)12(14)16-8(2)20/h4-7H,3H2,1-2H3,(H2,14,16,20)(H2,15,18,21).
What are the key properties of N-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide?
N-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide has a molecular weight of 288.31 g/mol, XLogP of 0.94, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylcarbamoylamino)imidazo[1,2-a]pyridine-7-carboximidoyl]acetamide is sourced from PubChem (CID 143109504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).