2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide

C21H16N4O2 — CID 18983831

IUPAC2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESN#CC(NC(=O)c1cccn2cc(Cc3ccccc3)nc12)c1ccco1
InChIInChI=1S/C21H16N4O2/c22-13-18(19-9-5-11-27-19)24-21(26)17-8-4-10-25-14-16(23-20(17)25)12-15-6-2-1-3-7-15/h1-11,14,18H,12H2,(H,24,26)
InChIKeyBMPLZWUPAMLOLJ-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.51
Rot. Bonds5

About 2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide

2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 18983831) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID18983831
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESN#CC(NC(=O)c1cccn2cc(Cc3ccccc3)nc12)c1ccco1
InChIInChI=1S/C21H16N4O2/c22-13-18(19-9-5-11-27-19)24-21(26)17-8-4-10-25-14-16(23-20(17)25)12-15-6-2-1-3-7-15/h1-11,14,18H,12H2,(H,24,26)
InChIKeyBMPLZWUPAMLOLJ-UHFFFAOYSA-N
XLogP3.51
TPSA83.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 18983831) is 2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide is N#CC(NC(=O)c1cccn2cc(Cc3ccccc3)nc12)c1ccco1.
What is the InChIKey of 2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is BMPLZWUPAMLOLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c22-13-18(19-9-5-11-27-19)24-21(26)17-8-4-10-25-14-16(23-20(17)25)12-15-6-2-1-3-7-15/h1-11,14,18H,12H2,(H,24,26).
What are the key properties of 2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide?
2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 356.39 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 18983831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).