2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide

C25H26N4O2 — CID 24854821

IUPAC2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2OCC(=O)N(C)C)nc2ccccn12
InChIInChI=1S/C25H26N4O2/c1-17-10-9-11-18(2)23(17)27-25-24(26-21-14-7-8-15-29(21)25)19-12-5-6-13-20(19)31-16-22(30)28(3)4/h5-15,27H,16H2,1-4H3
InChIKeyDMQUJTYPNCYYCZ-UHFFFAOYSA-N
MW414.51 g/mol
LogP4.83
Rot. Bonds6

About 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide

2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide (PubChem CID 24854821) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide
PubChem CID24854821
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2OCC(=O)N(C)C)nc2ccccn12
InChIInChI=1S/C25H26N4O2/c1-17-10-9-11-18(2)23(17)27-25-24(26-21-14-7-8-15-29(21)25)19-12-5-6-13-20(19)31-16-22(30)28(3)4/h5-15,27H,16H2,1-4H3
InChIKeyDMQUJTYPNCYYCZ-UHFFFAOYSA-N
XLogP4.83
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
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]phenoxy]-N,N-dimethylacetamide?
The IUPAC name of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide (CID 24854821) is 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide?
The canonical SMILES for 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide is Cc1cccc(C)c1Nc1c(-c2ccccc2OCC(=O)N(C)C)nc2ccccn12.
What is the InChIKey of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide?
The InChIKey is DMQUJTYPNCYYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-17-10-9-11-18(2)23(17)27-25-24(26-21-14-7-8-15-29(21)25)19-12-5-6-13-20(19)31-16-22(30)28(3)4/h5-15,27H,16H2,1-4H3.
What are the key properties of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide?
2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-N,N-dimethylacetamide has a molecular weight of 414.51 g/mol, XLogP of 4.83, 6 rotatable bonds, 1 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]phenoxy]-N,N-dimethylacetamide is sourced from PubChem (CID 24854821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).