N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide

C17H19N5O2 — CID 162656943

IUPACN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H19N5O2/c23-15-6-2-1-5-14(15)13-19-20-17(24)22-11-9-21(10-12-22)16-7-3-4-8-18-16/h1-8,13,23H,9-12H2,(H,20,24)/b19-13+
InChIKeyARPWBQZXQIRDJX-CPNJWEJPSA-N
MW325.37 g/mol
LogP1.65
Rot. Bonds3

About N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide

N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 162656943) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID162656943
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(N/N=C/c1ccccc1O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H19N5O2/c23-15-6-2-1-5-14(15)13-19-20-17(24)22-11-9-21(10-12-22)16-7-3-4-8-18-16/h1-8,13,23H,9-12H2,(H,20,24)/b19-13+
InChIKeyARPWBQZXQIRDJX-CPNJWEJPSA-N
XLogP1.65
TPSA81.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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'}

Analyze N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-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-[(E)-{[4-(pyridin-2-yl)piperazin-1-yl]imino}methyl]phenol
CID 135519103
N-[(1E)-2-(2-hydroxyphenyl)-1-azavinyl]-N'-(2-pyridyl)ethane-1,2-diamide
CID 135411914
N-[(E)-(2-hydroxy-3-prop-2-enylphenyl)methylideneamino]-2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]acetamide
CID 135875942
4-(((4-(2-Pyridinyl)-1-piperazinyl)imino)methyl)phenol
CID 135548528
2-(Pyridin-2-ylaminomethyl)-phenol
CID 950738
O-Desmethyl Pyrilamine
CID 14076877
2-{[(3-Methylpyridin-2-yl)amino]methyl}phenol
CID 4167622
2-[(E)-N-hydroxy-C-[2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]carbonimidoyl]-4-methylphenol
CID 135407844
N-[(E)-1-[2-hydroxy-3-[[4-(2-pyridyl)piperazin-1-yl]methyl]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 135491470
N-[(Z)-1-[2-hydroxy-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]phenyl]ethylideneamino]pyridine-4-carboxamide
CID 136184433
4-pyridin-2-yl-N-[(E)-[4-(trifluoromethoxy)phenyl]methylideneamino]piperazine-1-carboxamide
CID 162664050
3-[(E)-(4-pyridin-2-ylpiperazin-1-yl)iminomethyl]phenol
CID 6886423

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 162656943) is N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(N/N=C/c1ccccc1O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is ARPWBQZXQIRDJX-CPNJWEJPSA-N. The full InChI is InChI=1S/C17H19N5O2/c23-15-6-2-1-5-14(15)13-19-20-17(24)22-11-9-21(10-12-22)16-7-3-4-8-18-16/h1-8,13,23H,9-12H2,(H,20,24)/b19-13+.
What are the key properties of N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 162656943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).