N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide

C18H18N4O4 — CID 135519987

IUPACN-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2nc3ccccn3c2C)cc(OC)c1O
InChIInChI=1S/C18H18N4O4/c1-11-16(20-15-6-4-5-7-22(11)15)18(24)21-19-10-12-8-13(25-2)17(23)14(9-12)26-3/h4-10,23H,1-3H3,(H,21,24)/b19-10+
InChIKeyHSXCCQYISXSYQB-VXLYETTFSA-N
MW354.37 g/mol
LogP2.13
Rot. Bonds5

About N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide

N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide (PubChem CID 135519987) has the molecular formula C18H18N4O4 and a molecular weight of 354.37 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
PubChem CID135519987
Molecular FormulaC18H18N4O4
Molecular Weight354.37 g/mol
Exact Mass354.13
IUPAC NameN-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2nc3ccccn3c2C)cc(OC)c1O
InChIInChI=1S/C18H18N4O4/c1-11-16(20-15-6-4-5-7-22(11)15)18(24)21-19-10-12-8-13(25-2)17(23)14(9-12)26-3/h4-10,23H,1-3H3,(H,21,24)/b19-10+
InChIKeyHSXCCQYISXSYQB-VXLYETTFSA-N
XLogP2.13
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(Z)-(2,5-dimethoxyphenyl)methylideneamino]-2,7-dimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 5340453
N'-(3-ethoxy-4-hydroxybenzylidene)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 135495638
6-bromo-N'-(4-methoxybenzylidene)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 5430386
(7-Methoxyimidazo[1,2-a]pyridin-3-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 11522983
3,4,5-trimethoxy-N-[(8-methyl-2-imidazo[1,2-a]pyridinyl)methyl]benzamide
CID 4442363
N'-(1,3-benzodioxol-5-ylmethylene)-2,7-dimethylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 5340885
N'-[(1E)-(2,5-dimethoxyphenyl)methylene]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 9563797
6-bromo-N-[(E)-(3-methoxyphenyl)methylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 9593226
6-bromo-N'-[(E)-(3,4-dimethoxyphenyl)methylidene]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 9621304
6-chloro-N'-[(1E)-(2,3-dimethoxyphenyl)methylene]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 9631004
N-[(E)-1-(1,3-benzodioxol-5-yl)ethylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 9650297
N'-[(E)-(4-hydroxy-3-methoxyphenyl)methylidene]-1-(6-methyl-2-pyridinyl)-1H-imidazole-4-carbohydrazide
CID 135439660

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide (CID 135519987) is N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide is COc1cc(/C=N/NC(=O)c2nc3ccccn3c2C)cc(OC)c1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide?
The InChIKey is HSXCCQYISXSYQB-VXLYETTFSA-N. The full InChI is InChI=1S/C18H18N4O4/c1-11-16(20-15-6-4-5-7-22(11)15)18(24)21-19-10-12-8-13(25-2)17(23)14(9-12)26-3/h4-10,23H,1-3H3,(H,21,24)/b19-10+.
What are the key properties of N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide?
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide has a molecular weight of 354.37 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide is sourced from PubChem (CID 135519987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).