4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide

C26H25N3O3 — CID 56582359

About 4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide

4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide (PubChem CID 56582359) has the molecular formula C26H25N3O3 and a molecular weight of 427.50 g/mol. Its IUPAC name is 4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide.

Molecular Properties

• Compound Name: 4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
• PubChem CID: 56582359
• Molecular Formula: C26H25N3O3
• Molecular Weight: 427.50 g/mol
• Exact Mass: 427.19
• IUPAC Name: 4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
• SMILES: Cc1ccc(C(=O)CCC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1C
• InChI: InChI=1S/C26H25N3O3/c1-18-9-10-20(14-19(18)2)24(30)11-12-26(31)28-21-6-5-7-23(15-21)32-17-22-16-29-13-4-3-8-25(29)27-22/h3-10,13-16H,11-12,17H2,1-2H3,(H,28,31)
• InChIKey: OLQHWOQZQPKKAK-UHFFFAOYSA-N
• XLogP: 5.13
• TPSA: 72.70 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	427.50
LogP ≤ 5	5.13
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide?

The IUPAC name of 4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide (CID 56582359) is 4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide.

What is the SMILES notation for 4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide?

The canonical SMILES for 4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide is Cc1ccc(C(=O)CCC(=O)Nc2cccc(OCc3cn4ccccc4n3)c2)cc1C.

What is the InChIKey of 4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide?

The InChIKey is OLQHWOQZQPKKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N3O3/c1-18-9-10-20(14-19(18)2)24(30)11-12-26(31)28-21-6-5-7-23(15-21)32-17-22-16-29-13-4-3-8-25(29)27-22/h3-10,13-16H,11-12,17H2,1-2H3,(H,28,31).

What are the key properties of 4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide?

4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide has a molecular weight of 427.50 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide is sourced from PubChem (CID 56582359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).