N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide

C15H16N3O2+ — CID 136762982

IUPACN-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
SMILESCC(=NNC(=O)C[n+]1ccccc1)c1ccccc1O
InChIInChI=1S/C15H15N3O2/c1-12(13-7-3-4-8-14(13)19)16-17-15(20)11-18-9-5-2-6-10-18/h2-10H,11H2,1H3,(H-,16,17,19,20)/p+1
InChIKeyGQXRXQFYQXYZSQ-UHFFFAOYSA-O
MW270.31 g/mol
LogP1.22
Rot. Bonds4

About N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide

N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide (PubChem CID 136762982) has the molecular formula C15H16N3O2+ and a molecular weight of 270.31 g/mol. Its IUPAC name is N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide.

Molecular Properties

Compound NameN-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
PubChem CID136762982
Molecular FormulaC15H16N3O2+
Molecular Weight270.31 g/mol
Exact Mass270.12
IUPAC NameN-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
SMILESCC(=NNC(=O)C[n+]1ccccc1)c1ccccc1O
InChIInChI=1S/C15H15N3O2/c1-12(13-7-3-4-8-14(13)19)16-17-15(20)11-18-9-5-2-6-10-18/h2-10H,11H2,1H3,(H-,16,17,19,20)/p+1
InChIKeyGQXRXQFYQXYZSQ-UHFFFAOYSA-O
XLogP1.22
TPSA65.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', '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'}

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Related Compounds

N-[1-(2-chlorophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 4506221
N-[(Z)-1-(4-bromophenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 6132667
N-[(E)-1-(3-methylquinoxalin-2-yl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 43835788
[4-[C-methyl-N-[(2-pyridin-1-ium-1-ylacetyl)amino]carbonimidoyl]phenyl] acetate
CID 4506218
2-hydroxy-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]benzamide
CID 135472588
[1-(2-hydroxyphenyl)ethylideneamino]urea
CID 2732242
N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]octanamide
CID 135458893
N-[1-(2-hydroxyphenyl)ethylideneamino]decanamide
CID 3656120
2-(4-chlorophenyl)-N-[(E)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 135531709
N-[1-(3-methoxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide
CID 4506053
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methoxyphenyl)acetamide
CID 3660040
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]-2-(4-methylphenyl)sulfanylacetamide
CID 137035525

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide?
The IUPAC name of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide (CID 136762982) is N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide.
What is the SMILES notation for N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide?
The canonical SMILES for N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide is CC(=NNC(=O)C[n+]1ccccc1)c1ccccc1O.
What is the InChIKey of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide?
The InChIKey is GQXRXQFYQXYZSQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H15N3O2/c1-12(13-7-3-4-8-14(13)19)16-17-15(20)11-18-9-5-2-6-10-18/h2-10H,11H2,1H3,(H-,16,17,19,20)/p+1.
What are the key properties of N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide?
N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide has a molecular weight of 270.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-hydroxyphenyl)ethylideneamino]-2-pyridin-1-ium-1-ylacetamide is sourced from PubChem (CID 136762982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).