6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C17H15BrN4O2 — CID 5430386

IUPAC6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2c(C)nc3ccc(Br)cn23)cc1
InChIInChI=1S/C17H15BrN4O2/c1-11-16(22-10-13(18)5-8-15(22)20-11)17(23)21-19-9-12-3-6-14(24-2)7-4-12/h3-10H,1-2H3,(H,21,23)/b19-9-
InChIKeyVLQLREBXDINPJM-OCKHKDLRSA-N
MW387.24 g/mol
LogP3.18
Rot. Bonds4

About 6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 5430386) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID5430386
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCOc1ccc(/C=N\NC(=O)c2c(C)nc3ccc(Br)cn23)cc1
InChIInChI=1S/C17H15BrN4O2/c1-11-16(22-10-13(18)5-8-15(22)20-11)17(23)21-19-9-12-3-6-14(24-2)7-4-12/h3-10H,1-2H3,(H,21,23)/b19-9-
InChIKeyVLQLREBXDINPJM-OCKHKDLRSA-N
XLogP3.18
TPSA67.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 5430386) is 6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is COc1ccc(/C=N\NC(=O)c2c(C)nc3ccc(Br)cn23)cc1.
What is the InChIKey of 6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is VLQLREBXDINPJM-OCKHKDLRSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-11-16(22-10-13(18)5-8-15(22)20-11)17(23)21-19-9-12-3-6-14(24-2)7-4-12/h3-10H,1-2H3,(H,21,23)/b19-9-.
What are the key properties of 6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 387.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(Z)-(4-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 5430386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).