benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate

C25H23N3O3 — CID 127031630

IUPACbenzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate
SMILESCc1ccn2c(C(=O)NCc3ccc(C(=O)OCc4ccccc4)cc3)c(C)nc2c1
InChIInChI=1S/C25H23N3O3/c1-17-12-13-28-22(14-17)27-18(2)23(28)24(29)26-15-19-8-10-21(11-9-19)25(30)31-16-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyJXHZKJURBYIMJC-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.24
Rot. Bonds6

About benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate

benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate (PubChem CID 127031630) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate.

Molecular Properties

Compound Namebenzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate
PubChem CID127031630
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Namebenzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate
SMILESCc1ccn2c(C(=O)NCc3ccc(C(=O)OCc4ccccc4)cc3)c(C)nc2c1
InChIInChI=1S/C25H23N3O3/c1-17-12-13-28-22(14-17)27-18(2)23(28)24(29)26-15-19-8-10-21(11-9-19)25(30)31-16-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3,(H,26,29)
InChIKeyJXHZKJURBYIMJC-UHFFFAOYSA-N
XLogP4.24
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate?
The IUPAC name of benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate (CID 127031630) is benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate.
What is the SMILES notation for benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate?
The canonical SMILES for benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate is Cc1ccn2c(C(=O)NCc3ccc(C(=O)OCc4ccccc4)cc3)c(C)nc2c1.
What is the InChIKey of benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate?
The InChIKey is JXHZKJURBYIMJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-17-12-13-28-22(14-17)27-18(2)23(28)24(29)26-15-19-8-10-21(11-9-19)25(30)31-16-20-6-4-3-5-7-20/h3-14H,15-16H2,1-2H3,(H,26,29).
What are the key properties of benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate?
benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate has a molecular weight of 413.48 g/mol, XLogP of 4.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-[[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]methyl]benzoate is sourced from PubChem (CID 127031630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).