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

C17H19N5O3 — CID 162655296

IUPACN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H19N5O3/c23-14-5-4-13(15(24)11-14)12-19-20-17(25)22-9-7-21(8-10-22)16-3-1-2-6-18-16/h1-6,11-12,23-24H,7-10H2,(H,20,25)/b19-12+
InChIKeyZPZVREJFRQRDRN-XDHOZWIPSA-N
MW341.37 g/mol
LogP1.36
Rot. Bonds3

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

N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide (PubChem CID 162655296) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide
PubChem CID162655296
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC NameN-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide
SMILESO=C(N/N=C/c1ccc(O)cc1O)N1CCN(c2ccccn2)CC1
InChIInChI=1S/C17H19N5O3/c23-14-5-4-13(15(24)11-14)12-19-20-17(25)22-9-7-21(8-10-22)16-3-1-2-6-18-16/h1-6,11-12,23-24H,7-10H2,(H,20,25)/b19-12+
InChIKeyZPZVREJFRQRDRN-XDHOZWIPSA-N
XLogP1.36
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide (CID 162655296) is N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide is O=C(N/N=C/c1ccc(O)cc1O)N1CCN(c2ccccn2)CC1.
What is the InChIKey of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
The InChIKey is ZPZVREJFRQRDRN-XDHOZWIPSA-N. The full InChI is InChI=1S/C17H19N5O3/c23-14-5-4-13(15(24)11-14)12-19-20-17(25)22-9-7-21(8-10-22)16-3-1-2-6-18-16/h1-6,11-12,23-24H,7-10H2,(H,20,25)/b19-12+.
What are the key properties of N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide?
N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide has a molecular weight of 341.37 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,4-dihydroxyphenyl)methylideneamino]-4-pyridin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 162655296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).