2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide

C21H27N3O2 — CID 42694622

IUPAC2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide
SMILESCCCCC(CC)C(=O)Nc1c(-c2ccc(C)o2)nc2ccc(C)cn12
InChIInChI=1S/C21H27N3O2/c1-5-7-8-16(6-2)21(25)23-20-19(17-11-10-15(4)26-17)22-18-12-9-14(3)13-24(18)20/h9-13,16H,5-8H2,1-4H3,(H,23,25)
InChIKeyVJSIPKMUXTYGCO-UHFFFAOYSA-N
MW353.47 g/mol
LogP5.37
Rot. Bonds7

About 2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide

2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide (PubChem CID 42694622) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is 2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide.

Molecular Properties

Compound Name2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide
PubChem CID42694622
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide
SMILESCCCCC(CC)C(=O)Nc1c(-c2ccc(C)o2)nc2ccc(C)cn12
InChIInChI=1S/C21H27N3O2/c1-5-7-8-16(6-2)21(25)23-20-19(17-11-10-15(4)26-17)22-18-12-9-14(3)13-24(18)20/h9-13,16H,5-8H2,1-4H3,(H,23,25)
InChIKeyVJSIPKMUXTYGCO-UHFFFAOYSA-N
XLogP5.37
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide?
The IUPAC name of 2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide (CID 42694622) is 2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide.
What is the SMILES notation for 2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide?
The canonical SMILES for 2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide is CCCCC(CC)C(=O)Nc1c(-c2ccc(C)o2)nc2ccc(C)cn12.
What is the InChIKey of 2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide?
The InChIKey is VJSIPKMUXTYGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c1-5-7-8-16(6-2)21(25)23-20-19(17-11-10-15(4)26-17)22-18-12-9-14(3)13-24(18)20/h9-13,16H,5-8H2,1-4H3,(H,23,25).
What are the key properties of 2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide?
2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide has a molecular weight of 353.47 g/mol, XLogP of 5.37, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]hexanamide is sourced from PubChem (CID 42694622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).