N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

C17H16N4O3 — CID 135676260

IUPACN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESC/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccc(O)cc1O
InChIInChI=1S/C17H16N4O3/c1-10(13-7-6-12(22)9-14(13)23)19-20-17(24)16-11(2)18-15-5-3-4-8-21(15)16/h3-9,22-23H,1-2H3,(H,20,24)/b19-10+
InChIKeyNEQPWDFXEDYUJM-VXLYETTFSA-N
MW324.34 g/mol
LogP2.21
Rot. Bonds3

About N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide

N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 135676260) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID135676260
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESC/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccc(O)cc1O
InChIInChI=1S/C17H16N4O3/c1-10(13-7-6-12(22)9-14(13)23)19-20-17(24)16-11(2)18-15-5-3-4-8-21(15)16/h3-9,22-23H,1-2H3,(H,20,24)/b19-10+
InChIKeyNEQPWDFXEDYUJM-VXLYETTFSA-N
XLogP2.21
TPSA99.22 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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
N'-[(1E)-(2,5-dimethoxyphenyl)methylene]-2,6-dimethylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 9563797
N'-(4-hydroxy-3-methoxybenzylidene)-2,7-dimethylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 135455103
N'-[(Z)-(4-ethoxyphenyl)methylidene]-2,7-dimethylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 5335000
(E)-N'-(4-methoxybenzylidene)-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 45921474
2-methyl-N-[(E)-(4-phenylmethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 5755357
2-methyl-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]imidazo[1,2-a]pyridine-3-carboxamide
CID 118706418
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3-methylimidazo[1,2-a]pyridine-2-carboxamide
CID 135519987
N-[(E)-(4-hydroxyphenyl)methyleneamino]-2-methyl-imidazo[1,2-a]pyridine-3-carboxamide
CID 135734586
1-[(4-amino-2-methylpyrimidin-5-yl)methyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]-5-methyltriazole-4-carboxamide
CID 136240286
4-[1,3-dimethyl-2,6-dioxo-8-(pyridin-2-ylmethylamino)purin-7-yl]-N-[(E)-(2-hydroxyphenyl)methylideneamino]butanamide
CID 145972042

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 135676260) is N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is C/C(=N\NC(=O)c1c(C)nc2ccccn12)c1ccc(O)cc1O.
What is the InChIKey of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NEQPWDFXEDYUJM-VXLYETTFSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-10(13-7-6-12(22)9-14(13)23)19-20-17(24)16-11(2)18-15-5-3-4-8-21(15)16/h3-9,22-23H,1-2H3,(H,20,24)/b19-10+.
What are the key properties of N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide?
N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 2.21, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-(2,4-dihydroxyphenyl)ethylideneamino]-2-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 135676260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).