N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide

C27H24N4O2 — CID 135491423

IUPACN-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1cccc(CN(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C27H24N4O2/c1-20(29-30-27(33)21-15-17-28-18-16-21)25-14-8-9-22(26(25)32)19-31(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-18,32H,19H2,1H3,(H,30,33)/b29-20+
InChIKeyGVWHBNIMIHZHSL-ZTKZIYFRSA-N
MW436.52 g/mol
LogP5.28
Rot. Bonds7

About N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide

N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide (PubChem CID 135491423) has the molecular formula C27H24N4O2 and a molecular weight of 436.52 g/mol. Its IUPAC name is N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide
PubChem CID135491423
Molecular FormulaC27H24N4O2
Molecular Weight436.52 g/mol
Exact Mass436.19
IUPAC NameN-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1cccc(CN(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C27H24N4O2/c1-20(29-30-27(33)21-15-17-28-18-16-21)25-14-8-9-22(26(25)32)19-31(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-18,32H,19H2,1H3,(H,30,33)/b29-20+
InChIKeyGVWHBNIMIHZHSL-ZTKZIYFRSA-N
XLogP5.28
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.52
LogP ≤ 55.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-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

2-[(Z)-C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]benzoate
CID 7434547
N-[(Z)-1-(2-methoxyphenyl)ethylideneamino]pyridine-4-carboxamide
CID 7937174
N-[(E)-1-pyridin-4-ylethylideneamino]pyridine-4-carboxamide
CID 5402716
N-[1-(2-hydroxy-3-methoxyphenyl)ethylideneamino]benzamide
CID 137118645
N-[(Z)-1-[2-(2-amino-2-oxoethoxy)phenyl]ethylideneamino]pyridine-4-carboxamide
CID 6302652
N-[(E)-1-(2-hydroxy-5-methylphenyl)ethylideneamino]pyridine-4-carboxamide
CID 135614486
2-ethoxy-N-[(Z)-1-pyridin-4-ylethylideneamino]benzamide
CID 142204372
chloronickel;N-[1-[6-[C-methyl-N-(pyridine-4-carbonylamino)carbonimidoyl]-2-pyridinyl]ethylideneamino]pyridine-4-carboxamide
CID 50912725
N-[(2-methyl-1-phenylpropylidene)amino]pyridine-4-carboxamide
CID 904362
3,4,5-trihydroxy-N-(1-pyridin-4-ylethylideneamino)benzamide
CID 903912
N-[(E)-[(2E)-1,2-diphenyl-2-(pyridine-4-carbonylhydrazinylidene)ethylidene]amino]pyridine-4-carboxamide
CID 46202828
N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]pyridine-3-carboxamide
CID 135889728

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide (CID 135491423) is N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1cccc(CN(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide?
The InChIKey is GVWHBNIMIHZHSL-ZTKZIYFRSA-N. The full InChI is InChI=1S/C27H24N4O2/c1-20(29-30-27(33)21-15-17-28-18-16-21)25-14-8-9-22(26(25)32)19-31(23-10-4-2-5-11-23)24-12-6-3-7-13-24/h2-18,32H,19H2,1H3,(H,30,33)/b29-20+.
What are the key properties of N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 5.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-[2-hydroxy-3-[(N-phenylanilino)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135491423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).