[3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium

C25H25N4O3+ — CID 163761483

IUPAC[3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium
SMILES[NH2+]=C(CC(NC(=O)C1CCN(c2ccccc2)C1=O)c1ccccc1O)c1cccnc1
InChIInChI=1S/C25H24N4O3/c26-21(17-7-6-13-27-16-17)15-22(19-10-4-5-11-23(19)30)28-24(31)20-12-14-29(25(20)32)18-8-2-1-3-9-18/h1-11,13,16,20,22,26,30H,12,14-15H2,(H,28,31)/p+1
InChIKeyLYOBPDKQHYMQPZ-UHFFFAOYSA-O
MW429.50 g/mol
LogP1.64
Rot. Bonds7

About [3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium

[3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium (PubChem CID 163761483) has the molecular formula C25H25N4O3+ and a molecular weight of 429.50 g/mol. Its IUPAC name is [3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium.

Molecular Properties

Compound Name[3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium
PubChem CID163761483
Molecular FormulaC25H25N4O3+
Molecular Weight429.50 g/mol
Exact Mass429.19
IUPAC Name[3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium
SMILES[NH2+]=C(CC(NC(=O)C1CCN(c2ccccc2)C1=O)c1ccccc1O)c1cccnc1
InChIInChI=1S/C25H24N4O3/c26-21(17-7-6-13-27-16-17)15-22(19-10-4-5-11-23(19)30)28-24(31)20-12-14-29(25(20)32)18-8-2-1-3-9-18/h1-11,13,16,20,22,26,30H,12,14-15H2,(H,28,31)/p+1
InChIKeyLYOBPDKQHYMQPZ-UHFFFAOYSA-O
XLogP1.64
TPSA108.12 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.50
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze [3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium?
The IUPAC name of [3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium (CID 163761483) is [3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium.
What is the SMILES notation for [3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium?
The canonical SMILES for [3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium is [NH2+]=C(CC(NC(=O)C1CCN(c2ccccc2)C1=O)c1ccccc1O)c1cccnc1.
What is the InChIKey of [3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium?
The InChIKey is LYOBPDKQHYMQPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H24N4O3/c26-21(17-7-6-13-27-16-17)15-22(19-10-4-5-11-23(19)30)28-24(31)20-12-14-29(25(20)32)18-8-2-1-3-9-18/h1-11,13,16,20,22,26,30H,12,14-15H2,(H,28,31)/p+1.
What are the key properties of [3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium?
[3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium has a molecular weight of 429.50 g/mol, XLogP of 1.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyphenyl)-3-[(2-oxo-1-phenylpyrrolidine-3-carbonyl)amino]-1-pyridin-3-ylpropylidene]azanium is sourced from PubChem (CID 163761483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).