4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide

C18H20N4O2S — CID 84568080

IUPAC4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide
SMILESCc1nc2ccccn2c1CCC(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C18H20N4O2S/c1-10-12(3)25-18(16(10)17(19)24)21-15(23)8-7-13-11(2)20-14-6-4-5-9-22(13)14/h4-6,9H,7-8H2,1-3H3,(H2,19,24)(H,21,23)
InChIKeyKCQNZMMNGYSVBA-UHFFFAOYSA-N
MW356.45 g/mol
LogP2.99
Rot. Bonds5

About 4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide

4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide (PubChem CID 84568080) has the molecular formula C18H20N4O2S and a molecular weight of 356.45 g/mol. Its IUPAC name is 4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide
PubChem CID84568080
Molecular FormulaC18H20N4O2S
Molecular Weight356.45 g/mol
Exact Mass356.13
IUPAC Name4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide
SMILESCc1nc2ccccn2c1CCC(=O)Nc1sc(C)c(C)c1C(N)=O
InChIInChI=1S/C18H20N4O2S/c1-10-12(3)25-18(16(10)17(19)24)21-15(23)8-7-13-11(2)20-14-6-4-5-9-22(13)14/h4-6,9H,7-8H2,1-3H3,(H2,19,24)(H,21,23)
InChIKeyKCQNZMMNGYSVBA-UHFFFAOYSA-N
XLogP2.99
TPSA89.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(2,4,6-trimethylphenyl)propanamide
CID 84569535
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-(2H-tetrazol-5-yl)propanamide
CID 84561942
N-(4-ethylphenyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84569581
N-(3-acetylphenyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84569585
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(trifluoromethyl)phenyl]propanamide
CID 84561480
4,5-dimethyl-2-[(2-naphthalen-2-ylacetyl)amino]thiophene-3-carboxamide
CID 46926709
4,5-dimethyl-2-(naphthalen-1-ylcarbamoylamino)thiophene-3-carboxamide
CID 35523539
2-hydroxy-5-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]benzoic acid
CID 84561430
N-(3-methoxypropyl)-3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanamide
CID 84565197
N-[2,5-diethoxy-4-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]phenyl]benzamide
CID 84561426
3-(2-methylimidazo[1,2-a]pyridin-3-yl)-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]propanamide
CID 84569514
2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-4,5-dimethylthiophene-3-carboxamide
CID 4140165

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide (CID 84568080) is 4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide is Cc1nc2ccccn2c1CCC(=O)Nc1sc(C)c(C)c1C(N)=O.
What is the InChIKey of 4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide?
The InChIKey is KCQNZMMNGYSVBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-10-12(3)25-18(16(10)17(19)24)21-15(23)8-7-13-11(2)20-14-6-4-5-9-22(13)14/h4-6,9H,7-8H2,1-3H3,(H2,19,24)(H,21,23).
What are the key properties of 4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide?
4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide has a molecular weight of 356.45 g/mol, XLogP of 2.99, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[3-(2-methylimidazo[1,2-a]pyridin-3-yl)propanoylamino]thiophene-3-carboxamide is sourced from PubChem (CID 84568080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).