N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide

C16H14N4OS — CID 18983827

IUPACN-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCCc1cnc2c(C(=O)NC(C#N)c3cccs3)cccn12
InChIInChI=1S/C16H14N4OS/c1-2-11-10-18-15-12(5-3-7-20(11)15)16(21)19-13(9-17)14-6-4-8-22-14/h3-8,10,13H,2H2,1H3,(H,19,21)
InChIKeySSYXNTGHHUKNKH-UHFFFAOYSA-N
MW310.38 g/mol
LogP2.95
Rot. Bonds4

About N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide

N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide (PubChem CID 18983827) has the molecular formula C16H14N4OS and a molecular weight of 310.38 g/mol. Its IUPAC name is N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide
PubChem CID18983827
Molecular FormulaC16H14N4OS
Molecular Weight310.38 g/mol
Exact Mass310.09
IUPAC NameN-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide
SMILESCCc1cnc2c(C(=O)NC(C#N)c3cccs3)cccn12
InChIInChI=1S/C16H14N4OS/c1-2-11-10-18-15-12(5-3-7-20(11)15)16(21)19-13(9-17)14-6-4-8-22-14/h3-8,10,13H,2H2,1H3,(H,19,21)
InChIKeySSYXNTGHHUKNKH-UHFFFAOYSA-N
XLogP2.95
TPSA70.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyano-N-[cyano(thiophen-2-yl)methyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 18983865
N-[cyano(thiophen-2-yl)methyl]-2-fluorobenzamide
CID 13075817
N-[cyano(thiophen-2-yl)methyl]furan-2-carboxamide
CID 13075816
N-methyl-2-(8-methylimidazo[1,2-a]pyridin-3-yl)-N-(1-thiophen-2-ylethyl)acetamide
CID 56880443
N-[cyano(thiophen-2-yl)methyl]-2-cyclopentyl-5-methylpyrazole-3-carboxamide
CID 139821332
methyl (3S)-3-[(4-oxopyrido[1,2-a]pyrimidine-3-carbonyl)amino]-3-thiophen-2-ylpropanoate
CID 92863564
3-ethyl-8-propan-2-yloxyimidazo[1,2-a]pyridine
CID 54300351
N-[cyano(thiophen-2-yl)methyl]-4-methyl-2-methylsulfonyl-1,3-thiazole-5-carboxamide
CID 142633567
methyl 3-(aminomethyl)imidazo[1,2-a]pyridine-8-carboxylate
CID 117256872
4-ethyl-N-(1-thiophen-2-ylprop-2-ynyl)-1,3-thiazole-5-carboxamide;propane
CID 142069141
5-cyano-N-(1-thiophen-2-ylpropyl)pyridine-2-carboxamide
CID 55229031
3-(sulfanylmethyl)imidazo[1,2-a]pyridine-8-carboxylic acid
CID 117256926

Frequently Asked Questions

What is the IUPAC name of N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide?
The IUPAC name of N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide (CID 18983827) is N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide?
The canonical SMILES for N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide is CCc1cnc2c(C(=O)NC(C#N)c3cccs3)cccn12.
What is the InChIKey of N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide?
The InChIKey is SSYXNTGHHUKNKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS/c1-2-11-10-18-15-12(5-3-7-20(11)15)16(21)19-13(9-17)14-6-4-8-22-14/h3-8,10,13H,2H2,1H3,(H,19,21).
What are the key properties of N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide?
N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide has a molecular weight of 310.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyano(thiophen-2-yl)methyl]-3-ethylimidazo[1,2-a]pyridine-8-carboxamide is sourced from PubChem (CID 18983827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).