3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide

C18H18N4O2 — CID 91335599

IUPAC3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide
SMILESCC(C)C(=O)c1cn2cc(NC(=O)c3cccc(N)c3)ccc2n1
InChIInChI=1S/C18H18N4O2/c1-11(2)17(23)15-10-22-9-14(6-7-16(22)21-15)20-18(24)12-4-3-5-13(19)8-12/h3-11H,19H2,1-2H3,(H,20,24)
InChIKeyQILFXLVWSPEXJY-UHFFFAOYSA-N
MW322.37 g/mol
LogP3.01
Rot. Bonds4

About 3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide

3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide (PubChem CID 91335599) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide.

Molecular Properties

Compound Name3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide
PubChem CID91335599
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide
SMILESCC(C)C(=O)c1cn2cc(NC(=O)c3cccc(N)c3)ccc2n1
InChIInChI=1S/C18H18N4O2/c1-11(2)17(23)15-10-22-9-14(6-7-16(22)21-15)20-18(24)12-4-3-5-13(19)8-12/h3-11H,19H2,1-2H3,(H,20,24)
InChIKeyQILFXLVWSPEXJY-UHFFFAOYSA-N
XLogP3.01
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
The IUPAC name of 3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide (CID 91335599) is 3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide.
What is the SMILES notation for 3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
The canonical SMILES for 3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide is CC(C)C(=O)c1cn2cc(NC(=O)c3cccc(N)c3)ccc2n1.
What is the InChIKey of 3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
The InChIKey is QILFXLVWSPEXJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2/c1-11(2)17(23)15-10-22-9-14(6-7-16(22)21-15)20-18(24)12-4-3-5-13(19)8-12/h3-11H,19H2,1-2H3,(H,20,24).
What are the key properties of 3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide?
3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide has a molecular weight of 322.37 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2-methylpropanoyl)imidazo[1,2-a]pyridin-6-yl]benzamide is sourced from PubChem (CID 91335599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).