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

C20H24N4O2 — CID 135461024

IUPACN-[(E)-1-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCCCC2)c1O
InChIInChI=1S/C20H24N4O2/c1-15(22-23-20(26)16-8-10-21-11-9-16)18-7-5-6-17(19(18)25)14-24-12-3-2-4-13-24/h5-11,25H,2-4,12-14H2,1H3,(H,23,26)/b22-15+
InChIKeyBWKNKNUVJAMNHZ-PXLXIMEGSA-N
MW352.44 g/mol
LogP2.93
Rot. Bonds5

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

N-[(E)-1-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide (PubChem CID 135461024) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N-[(E)-1-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-1-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide
PubChem CID135461024
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN-[(E)-1-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide
SMILESC/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCCCC2)c1O
InChIInChI=1S/C20H24N4O2/c1-15(22-23-20(26)16-8-10-21-11-9-16)18-7-5-6-17(19(18)25)14-24-12-3-2-4-13-24/h5-11,25H,2-4,12-14H2,1H3,(H,23,26)/b22-15+
InChIKeyBWKNKNUVJAMNHZ-PXLXIMEGSA-N
XLogP2.93
TPSA77.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.93
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-(piperidin-1-ylmethyl)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

Salinazid
CID 135400471
(e)-n'-((2-Hydroxynaphthalen-1-yl)methylene)isonicotinohydrazide
CID 135400486
Isonicotinic acid (2,4-dihydroxy-benzylidene)-hydrazide
CID 135400282
N'-(4-(diethylamino)-2-hydroxybenzylidene)isonicotinohydrazide
CID 135400298
Flavoteben
CID 135400468
Salicylaldehyde isonicotinoyl hydrazone
CID 10323
2-Hydroxy-1-naphthylaldehyde isonicotinoyl hydrazone
CID 135408575
N'-[(2-hydroxynaphthalen-1-yl)methylidene]pyridine-4-carbohydrazide
CID 4491
N'-[1-(2-hydroxyphenyl)ethylidene]isonicotinohydrazide
CID 135408522
Acroteben
CID 5351737
Nsc51353
CID 242591
2-hydroxy-N'-[(E)-quinolin-8-ylmethylidene]benzohydrazide
CID 9653239

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-1-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide (CID 135461024) is N-[(E)-1-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-1-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-1-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide is C/C(=N\NC(=O)c1ccncc1)c1cccc(CN2CCCCC2)c1O.
What is the InChIKey of N-[(E)-1-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide?
The InChIKey is BWKNKNUVJAMNHZ-PXLXIMEGSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-15(22-23-20(26)16-8-10-21-11-9-16)18-7-5-6-17(19(18)25)14-24-12-3-2-4-13-24/h5-11,25H,2-4,12-14H2,1H3,(H,23,26)/b22-15+.
What are the key properties of N-[(E)-1-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide?
N-[(E)-1-[2-hydroxy-3-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 2.93, 5 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-(piperidin-1-ylmethyl)phenyl]ethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 135461024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).