1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide

C20H18N3O2+ — CID 136661281

IUPAC1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide
SMILESO=C(N/N=C\c1ccc(O)cc1)c1cc[n+](Cc2ccccc2)cc1
InChIInChI=1S/C20H17N3O2/c24-19-8-6-16(7-9-19)14-21-22-20(25)18-10-12-23(13-11-18)15-17-4-2-1-3-5-17/h1-14,25H,15H2/p+1
InChIKeyBVJUTNGYBIYTCH-UHFFFAOYSA-O
MW332.38 g/mol
LogP2.49
Rot. Bonds5

About 1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide

1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide (PubChem CID 136661281) has the molecular formula C20H18N3O2+ and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide
PubChem CID136661281
Molecular FormulaC20H18N3O2+
Molecular Weight332.38 g/mol
Exact Mass332.14
IUPAC Name1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide
SMILESO=C(N/N=C\c1ccc(O)cc1)c1cc[n+](Cc2ccccc2)cc1
InChIInChI=1S/C20H17N3O2/c24-19-8-6-16(7-9-19)14-21-22-20(25)18-10-12-23(13-11-18)15-17-4-2-1-3-5-17/h1-14,25H,15H2/p+1
InChIKeyBVJUTNGYBIYTCH-UHFFFAOYSA-O
XLogP2.49
TPSA65.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-benzyl-N-[(E)-(4-bromophenyl)methylideneamino]pyridin-1-ium-4-carboxamide
CID 5334022
1-benzyl-N-[(4-phenylmethoxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide
CID 1361011
1-benzyl-N-[(E)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-3-carboxamide chloride
CID 136632835
N-[(Z)-(4-hydroxyphenyl)methylideneamino]-4-phenylbenzamide
CID 136661498
N-[(E)-(4-ethylphenyl)methylideneamino]-4-hydroxybenzamide
CID 6906079
1-benzyl-N-[(4-bromophenyl)methylideneamino]pyridin-1-ium-3-carboxamide chloride
CID 2848962
4-hydroxy-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide;methanol
CID 139076899
N-[(E)-[4-[benzyl(methyl)amino]phenyl]methylideneamino]-4-hydroxybenzamide
CID 170647573
N,N-dimethylformamide;N-[(E)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 139068504
N-[(4-hydroxyphenyl)methylideneamino]-2-phenylmethoxybenzamide
CID 4937790
4-N-hydroxy-1-N-[(E)-(4-hydroxyphenyl)methylideneamino]benzene-1,4-dicarboxamide
CID 135883029
4-amino-N-[(Z)-(4-hydroxyphenyl)methylideneamino]benzamide
CID 136742442

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide?
The IUPAC name of 1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide (CID 136661281) is 1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide?
The canonical SMILES for 1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide is O=C(N/N=C\c1ccc(O)cc1)c1cc[n+](Cc2ccccc2)cc1.
What is the InChIKey of 1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide?
The InChIKey is BVJUTNGYBIYTCH-UHFFFAOYSA-O. The full InChI is InChI=1S/C20H17N3O2/c24-19-8-6-16(7-9-19)14-21-22-20(25)18-10-12-23(13-11-18)15-17-4-2-1-3-5-17/h1-14,25H,15H2/p+1.
What are the key properties of 1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide?
1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(Z)-(4-hydroxyphenyl)methylideneamino]pyridin-1-ium-4-carboxamide is sourced from PubChem (CID 136661281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).