N-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide

C20H17N5O3 — CID 135483924

IUPACN-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1cc(/N=N/c2ccccc2)cc(/C=N/NC(=O)c2cccnc2)c1O
InChIInChI=1S/C20H17N5O3/c1-28-18-11-17(24-23-16-7-3-2-4-8-16)10-15(19(18)26)13-22-25-20(27)14-6-5-9-21-12-14/h2-13,26H,1H3,(H,25,27)/b22-13+,24-23+
InChIKeyYMUJUPCWQIDGCK-QTANEOQUSA-N
MW375.39 g/mol
LogP3.98
Rot. Bonds6

About N-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide

N-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135483924) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID135483924
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1cc(/N=N/c2ccccc2)cc(/C=N/NC(=O)c2cccnc2)c1O
InChIInChI=1S/C20H17N5O3/c1-28-18-11-17(24-23-16-7-3-2-4-8-16)10-15(19(18)26)13-22-25-20(27)14-6-5-9-21-12-14/h2-13,26H,1H3,(H,25,27)/b22-13+,24-23+
InChIKeyYMUJUPCWQIDGCK-QTANEOQUSA-N
XLogP3.98
TPSA108.53 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'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 N-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide (CID 135483924) is N-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide is COc1cc(/N=N/c2ccccc2)cc(/C=N/NC(=O)c2cccnc2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is YMUJUPCWQIDGCK-QTANEOQUSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-28-18-11-17(24-23-16-7-3-2-4-8-16)10-15(19(18)26)13-22-25-20(27)14-6-5-9-21-12-14/h2-13,26H,1H3,(H,25,27)/b22-13+,24-23+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxy-5-phenyldiazenylphenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135483924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).