N-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

C18H19BrN4O — CID 134139426

IUPACN-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCCNc3ccc(Br)cc3)n2c1
InChIInChI=1S/C18H19BrN4O/c1-12-3-8-16-22-13(2)17(23(16)11-12)18(24)21-10-9-20-15-6-4-14(19)5-7-15/h3-8,11,20H,9-10H2,1-2H3,(H,21,24)
InChIKeyZFBSTONAGIHLIH-UHFFFAOYSA-N
MW387.28 g/mol
LogP3.56
Rot. Bonds5

About N-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide

N-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 134139426) has the molecular formula C18H19BrN4O and a molecular weight of 387.28 g/mol. Its IUPAC name is N-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID134139426
Molecular FormulaC18H19BrN4O
Molecular Weight387.28 g/mol
Exact Mass386.07
IUPAC NameN-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NCCNc3ccc(Br)cc3)n2c1
InChIInChI=1S/C18H19BrN4O/c1-12-3-8-16-22-13(2)17(23(16)11-12)18(24)21-10-9-20-15-6-4-14(19)5-7-15/h3-8,11,20H,9-10H2,1-2H3,(H,21,24)
InChIKeyZFBSTONAGIHLIH-UHFFFAOYSA-N
XLogP3.56
TPSA58.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.28
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 N-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide (CID 134139426) is N-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NCCNc3ccc(Br)cc3)n2c1.
What is the InChIKey of N-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is ZFBSTONAGIHLIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN4O/c1-12-3-8-16-22-13(2)17(23(16)11-12)18(24)21-10-9-20-15-6-4-14(19)5-7-15/h3-8,11,20H,9-10H2,1-2H3,(H,21,24).
What are the key properties of N-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide?
N-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 387.28 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-bromoanilino)ethyl]-2,6-dimethylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 134139426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).