N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide

C18H17N5O3 — CID 135439660

IUPACN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cn(-c3cccc(C)n3)cn2)ccc1O
InChIInChI=1S/C18H17N5O3/c1-12-4-3-5-17(21-12)23-10-14(19-11-23)18(25)22-20-9-13-6-7-15(24)16(8-13)26-2/h3-11,24H,1-2H3,(H,22,25)/b20-9+
InChIKeyJMASKBYZKHSYNU-AWQFTUOYSA-N
MW351.37 g/mol
LogP2.05
Rot. Bonds5

About N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide

N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide (PubChem CID 135439660) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
PubChem CID135439660
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC NameN-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide
SMILESCOc1cc(/C=N/NC(=O)c2cn(-c3cccc(C)n3)cn2)ccc1O
InChIInChI=1S/C18H17N5O3/c1-12-4-3-5-17(21-12)23-10-14(19-11-23)18(25)22-20-9-13-6-7-15(24)16(8-13)26-2/h3-11,24H,1-2H3,(H,22,25)/b20-9+
InChIKeyJMASKBYZKHSYNU-AWQFTUOYSA-N
XLogP2.05
TPSA101.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.05
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
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-(benzo[d][1,3]dioxol-5-ylmethyl)-1-methyl-4-(pyridin-4-ylmethylamino)-1H-imidazole-5-carboxamide
CID 44439459
N'-(4-hydroxy-3-methoxybenzylidene)-2,7-dimethylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 135455103
6-bromo-N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 135472793
6-chloro-N'-[(1E)-(2-hydroxy-3-methoxyphenyl)methylene]-2-methylimidazo[1,2-a]pyridine-3-carbohydrazide
CID 135592728

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The IUPAC name of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide (CID 135439660) is N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The canonical SMILES for N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide is COc1cc(/C=N/NC(=O)c2cn(-c3cccc(C)n3)cn2)ccc1O.
What is the InChIKey of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
The InChIKey is JMASKBYZKHSYNU-AWQFTUOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-12-4-3-5-17(21-12)23-10-14(19-11-23)18(25)22-20-9-13-6-7-15(24)16(8-13)26-2/h3-11,24H,1-2H3,(H,22,25)/b20-9+.
What are the key properties of N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide?
N-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 2.05, 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-methoxyphenyl)methylideneamino]-1-(6-methyl-2-pyridinyl)imidazole-4-carboxamide is sourced from PubChem (CID 135439660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).