2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide

C26H28N4O2 — CID 24854942

IUPAC2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide
SMILESCCCc1cccc(OCC(N)=O)c1-c1nc2ccccn2c1Nc1c(C)cccc1C
InChIInChI=1S/C26H28N4O2/c1-4-9-19-12-8-13-20(32-16-21(27)31)23(19)25-26(30-15-6-5-14-22(30)28-25)29-24-17(2)10-7-11-18(24)3/h5-8,10-15,29H,4,9,16H2,1-3H3,(H2,27,31)
InChIKeyXKVOMYLSDUZLDO-UHFFFAOYSA-N
MW428.54 g/mol
LogP5.18
Rot. Bonds8

About 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide

2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide (PubChem CID 24854942) has the molecular formula C26H28N4O2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide.

Molecular Properties

Compound Name2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide
PubChem CID24854942
Molecular FormulaC26H28N4O2
Molecular Weight428.54 g/mol
Exact Mass428.22
IUPAC Name2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide
SMILESCCCc1cccc(OCC(N)=O)c1-c1nc2ccccn2c1Nc1c(C)cccc1C
InChIInChI=1S/C26H28N4O2/c1-4-9-19-12-8-13-20(32-16-21(27)31)23(19)25-26(30-15-6-5-14-22(30)28-25)29-24-17(2)10-7-11-18(24)3/h5-8,10-15,29H,4,9,16H2,1-3H3,(H2,27,31)
InChIKeyXKVOMYLSDUZLDO-UHFFFAOYSA-N
XLogP5.18
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.54
LogP ≤ 55.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide?
The IUPAC name of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide (CID 24854942) is 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide.
What is the SMILES notation for 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide?
The canonical SMILES for 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide is CCCc1cccc(OCC(N)=O)c1-c1nc2ccccn2c1Nc1c(C)cccc1C.
What is the InChIKey of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide?
The InChIKey is XKVOMYLSDUZLDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O2/c1-4-9-19-12-8-13-20(32-16-21(27)31)23(19)25-26(30-15-6-5-14-22(30)28-25)29-24-17(2)10-7-11-18(24)3/h5-8,10-15,29H,4,9,16H2,1-3H3,(H2,27,31).
What are the key properties of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide?
2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide has a molecular weight of 428.54 g/mol, XLogP of 5.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]-3-propylphenoxy]acetamide is sourced from PubChem (CID 24854942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).