3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

C21H26N4O2S — CID 46948178

IUPAC3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCCN(C(C)=O)c1c(CC)nc2ccc(C(=O)NCc3cccs3)cn12
InChIInChI=1S/C21H26N4O2S/c1-4-6-11-24(15(3)26)21-18(5-2)23-19-10-9-16(14-25(19)21)20(27)22-13-17-8-7-12-28-17/h7-10,12,14H,4-6,11,13H2,1-3H3,(H,22,27)
InChIKeyRDBKICDWKOGISE-UHFFFAOYSA-N
MW398.53 g/mol
LogP4.04
Rot. Bonds8

About 3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide

3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 46948178) has the molecular formula C21H26N4O2S and a molecular weight of 398.53 g/mol. Its IUPAC name is 3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
PubChem CID46948178
Molecular FormulaC21H26N4O2S
Molecular Weight398.53 g/mol
Exact Mass398.18
IUPAC Name3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide
SMILESCCCCN(C(C)=O)c1c(CC)nc2ccc(C(=O)NCc3cccs3)cn12
InChIInChI=1S/C21H26N4O2S/c1-4-6-11-24(15(3)26)21-18(5-2)23-19-10-9-16(14-25(19)21)20(27)22-13-17-8-7-12-28-17/h7-10,12,14H,4-6,11,13H2,1-3H3,(H,22,27)
InChIKeyRDBKICDWKOGISE-UHFFFAOYSA-N
XLogP4.04
TPSA66.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The IUPAC name of 3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide (CID 46948178) is 3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The canonical SMILES for 3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide is CCCCN(C(C)=O)c1c(CC)nc2ccc(C(=O)NCc3cccs3)cn12.
What is the InChIKey of 3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
The InChIKey is RDBKICDWKOGISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2S/c1-4-6-11-24(15(3)26)21-18(5-2)23-19-10-9-16(14-25(19)21)20(27)22-13-17-8-7-12-28-17/h7-10,12,14H,4-6,11,13H2,1-3H3,(H,22,27).
What are the key properties of 3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide?
3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 398.53 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(butyl)amino]-2-ethyl-N-(thiophen-2-ylmethyl)imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 46948178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).