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

C25H26N4O2 — CID 67350642

IUPAC2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-2-methylpropanamide
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2OC(C)(C)C(N)=O)nc2ccccn12
InChIInChI=1S/C25H26N4O2/c1-16-10-9-11-17(2)21(16)28-23-22(27-20-14-7-8-15-29(20)23)18-12-5-6-13-19(18)31-25(3,4)24(26)30/h5-15,28H,1-4H3,(H2,26,30)
InChIKeyRLMWIHMEGIRHOM-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.00
Rot. Bonds6

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

2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-2-methylpropanamide (PubChem CID 67350642) 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]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-2-methylpropanamide
PubChem CID67350642
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]-2-methylpropanamide
SMILESCc1cccc(C)c1Nc1c(-c2ccccc2OC(C)(C)C(N)=O)nc2ccccn12
InChIInChI=1S/C25H26N4O2/c1-16-10-9-11-17(2)21(16)28-23-22(27-20-14-7-8-15-29(20)23)18-12-5-6-13-19(18)31-25(3,4)24(26)30/h5-15,28H,1-4H3,(H2,26,30)
InChIKeyRLMWIHMEGIRHOM-UHFFFAOYSA-N
XLogP5.00
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.00
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]phenoxy]-2-methylpropanamide?
The IUPAC name of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-2-methylpropanamide (CID 67350642) is 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-2-methylpropanamide.
What is the SMILES notation for 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-2-methylpropanamide?
The canonical SMILES for 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-2-methylpropanamide is Cc1cccc(C)c1Nc1c(-c2ccccc2OC(C)(C)C(N)=O)nc2ccccn12.
What is the InChIKey of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-2-methylpropanamide?
The InChIKey is RLMWIHMEGIRHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-16-10-9-11-17(2)21(16)28-23-22(27-20-14-7-8-15-29(20)23)18-12-5-6-13-19(18)31-25(3,4)24(26)30/h5-15,28H,1-4H3,(H2,26,30).
What are the key properties of 2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-2-methylpropanamide?
2-[2-[3-(2,6-dimethylanilino)imidazo[1,2-a]pyridin-2-yl]phenoxy]-2-methylpropanamide has a molecular weight of 414.51 g/mol, XLogP of 5.00, 6 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]phenoxy]-2-methylpropanamide is sourced from PubChem (CID 67350642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).