N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide

C14H12N4O5 — CID 135589441

IUPACN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccnc2)c1O
InChIInChI=1S/C14H12N4O5/c1-23-12-6-11(18(21)22)5-10(13(12)19)8-16-17-14(20)9-3-2-4-15-7-9/h2-8,19H,1H3,(H,17,20)/b16-8+
InChIKeyZLFUPGPCKIMXIY-LZYBPNLTSA-N
MW316.27 g/mol
LogP1.47
Rot. Bonds5

About N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide

N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 135589441) has the molecular formula C14H12N4O5 and a molecular weight of 316.27 g/mol. Its IUPAC name is N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID135589441
Molecular FormulaC14H12N4O5
Molecular Weight316.27 g/mol
Exact Mass316.08
IUPAC NameN-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccnc2)c1O
InChIInChI=1S/C14H12N4O5/c1-23-12-6-11(18(21)22)5-10(13(12)19)8-16-17-14(20)9-3-2-4-15-7-9/h2-8,19H,1H3,(H,17,20)/b16-8+
InChIKeyZLFUPGPCKIMXIY-LZYBPNLTSA-N
XLogP1.47
TPSA126.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide 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 N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide (CID 135589441) is N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide is COc1cc([N+](=O)[O-])cc(/C=N/NC(=O)c2cccnc2)c1O.
What is the InChIKey of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is ZLFUPGPCKIMXIY-LZYBPNLTSA-N. The full InChI is InChI=1S/C14H12N4O5/c1-23-12-6-11(18(21)22)5-10(13(12)19)8-16-17-14(20)9-3-2-4-15-7-9/h2-8,19H,1H3,(H,17,20)/b16-8+.
What are the key properties of N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 316.27 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-hydroxy-3-methoxy-5-nitrophenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 135589441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).