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

C21H23N3O3 — CID 127030352

IUPACbenzyl 4-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]butanoate
SMILESCc1ccn2c(C(=O)NCCCC(=O)OCc3ccccc3)c(C)nc2c1
InChIInChI=1S/C21H23N3O3/c1-15-10-12-24-18(13-15)23-16(2)20(24)21(26)22-11-6-9-19(25)27-14-17-7-4-3-5-8-17/h3-5,7-8,10,12-13H,6,9,11,14H2,1-2H3,(H,22,26)
InChIKeyFOBAURJYHZZLNK-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.20
Rot. Bonds7

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

benzyl 4-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]butanoate (PubChem CID 127030352) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is benzyl 4-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]butanoate.

Molecular Properties

Compound Namebenzyl 4-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]butanoate
PubChem CID127030352
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Namebenzyl 4-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]butanoate
SMILESCc1ccn2c(C(=O)NCCCC(=O)OCc3ccccc3)c(C)nc2c1
InChIInChI=1S/C21H23N3O3/c1-15-10-12-24-18(13-15)23-16(2)20(24)21(26)22-11-6-9-19(25)27-14-17-7-4-3-5-8-17/h3-5,7-8,10,12-13H,6,9,11,14H2,1-2H3,(H,22,26)
InChIKeyFOBAURJYHZZLNK-UHFFFAOYSA-N
XLogP3.20
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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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]butanoate?
The IUPAC name of benzyl 4-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]butanoate (CID 127030352) is benzyl 4-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]butanoate.
What is the SMILES notation for benzyl 4-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]butanoate?
The canonical SMILES for benzyl 4-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]butanoate is Cc1ccn2c(C(=O)NCCCC(=O)OCc3ccccc3)c(C)nc2c1.
What is the InChIKey of benzyl 4-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]butanoate?
The InChIKey is FOBAURJYHZZLNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O3/c1-15-10-12-24-18(13-15)23-16(2)20(24)21(26)22-11-6-9-19(25)27-14-17-7-4-3-5-8-17/h3-5,7-8,10,12-13H,6,9,11,14H2,1-2H3,(H,22,26).
What are the key properties of benzyl 4-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]butanoate?
benzyl 4-[(2,7-dimethylimidazo[1,2-a]pyridine-3-carbonyl)amino]butanoate has a molecular weight of 365.43 g/mol, XLogP of 3.20, 7 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]butanoate is sourced from PubChem (CID 127030352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).