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

C15H9N5OS — CID 18983865

IUPAC2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESN#Cc1cn2cccc(C(=O)NC(C#N)c3cccs3)c2n1
InChIInChI=1S/C15H9N5OS/c16-7-10-9-20-5-1-3-11(14(20)18-10)15(21)19-12(8-17)13-4-2-6-22-13/h1-6,9,12H,(H,19,21)
InChIKeyRYXWPHJZUKDOHF-UHFFFAOYSA-N
MW307.34 g/mol
LogP2.26
Rot. Bonds3

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

2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 18983865) has the molecular formula C15H9N5OS and a molecular weight of 307.34 g/mol. Its IUPAC name is 2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound Name2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
PubChem CID18983865
Molecular FormulaC15H9N5OS
Molecular Weight307.34 g/mol
Exact Mass307.05
IUPAC Name2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
SMILESN#Cc1cn2cccc(C(=O)NC(C#N)c3cccs3)c2n1
InChIInChI=1S/C15H9N5OS/c16-7-10-9-20-5-1-3-11(14(20)18-10)15(21)19-12(8-17)13-4-2-6-22-13/h1-6,9,12H,(H,19,21)
InChIKeyRYXWPHJZUKDOHF-UHFFFAOYSA-N
XLogP2.26
TPSA93.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.34
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide
CID 18983827
N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide
CID 13075817
2-benzyl-N-[cyano(furan-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 18983831
N-[cyano(thiophen-2-yl)methyl]furan-2-carboxamide
CID 13075816
N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide
CID 139821332
N-[cyano(thiophen-2-yl)methyl]-4-methyl-2-methylsulfonyl-1,3-thiazole-5-carboxamide
CID 142633567
ethyl N-[2-[(8-cyanoimidazo[1,2-a]pyridine-2-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 121464800
N-(dicyanomethyl)thiophene-2-carboxamide
CID 22299074
2-methyl-N-(2-methylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 110704641
2-methyl-N-(2-propan-2-ylphenyl)imidazo[1,2-a]pyridine-8-carboxamide
CID 110704657
4-cyano-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8853563
3-(1,3-dimethylpyrazol-4-yl)-3-oxo-2-thiophen-2-ylpropanenitrile
CID 102801630

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of 2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide (CID 18983865) is 2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for 2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for 2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide is N#Cc1cn2cccc(C(=O)NC(C#N)c3cccs3)c2n1.
What is the InChIKey of 2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is RYXWPHJZUKDOHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N5OS/c16-7-10-9-20-5-1-3-11(14(20)18-10)15(21)19-12(8-17)13-4-2-6-22-13/h1-6,9,12H,(H,19,21).
What are the key properties of 2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide?
2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 307.34 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 18983865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).