N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

C26H27N3O4 — CID 55511756

IUPACN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCOc1ccc(CN(C)C(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c(OC)c1
InChIInChI=1S/C26H27N3O4/c1-18-8-11-25-27-21(16-29(25)14-18)17-33-23-7-5-6-19(12-23)26(30)28(2)15-20-9-10-22(31-3)13-24(20)32-4/h5-14,16H,15,17H2,1-4H3
InChIKeyJPCCELNQLXLUEF-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.51
Rot. Bonds8

About N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide

N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (PubChem CID 55511756) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
PubChem CID55511756
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide
SMILESCOc1ccc(CN(C)C(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c(OC)c1
InChIInChI=1S/C26H27N3O4/c1-18-8-11-25-27-21(16-29(25)14-18)17-33-23-7-5-6-19(12-23)26(30)28(2)15-20-9-10-22(31-3)13-24(20)32-4/h5-14,16H,15,17H2,1-4H3
InChIKeyJPCCELNQLXLUEF-UHFFFAOYSA-N
XLogP4.51
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide (CID 55511756) is N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is COc1ccc(CN(C)C(=O)c2cccc(OCc3cn4cc(C)ccc4n3)c2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
The InChIKey is JPCCELNQLXLUEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-18-8-11-25-27-21(16-29(25)14-18)17-33-23-7-5-6-19(12-23)26(30)28(2)15-20-9-10-22(31-3)13-24(20)32-4/h5-14,16H,15,17H2,1-4H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide?
N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide has a molecular weight of 445.52 g/mol, XLogP of 4.51, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-N-methyl-3-[(6-methylimidazo[1,2-a]pyridin-2-yl)methoxy]benzamide is sourced from PubChem (CID 55511756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).