N-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide

C13H10N4O4 — CID 3736023

IUPACN-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccncc1
InChIInChI=1S/C13H10N4O4/c18-12-2-1-11(17(20)21)7-10(12)8-15-16-13(19)9-3-5-14-6-4-9/h1-8,18H,(H,16,19)
InChIKeyPIEWMLRJDLRRIA-UHFFFAOYSA-N
MW286.25 g/mol
LogP1.46
Rot. Bonds4

About N-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide

N-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide (PubChem CID 3736023) has the molecular formula C13H10N4O4 and a molecular weight of 286.25 g/mol. Its IUPAC name is N-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
PubChem CID3736023
Molecular FormulaC13H10N4O4
Molecular Weight286.25 g/mol
Exact Mass286.07
IUPAC NameN-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide
SMILESO=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccncc1
InChIInChI=1S/C13H10N4O4/c18-12-2-1-11(17(20)21)7-10(12)8-15-16-13(19)9-3-5-14-6-4-9/h1-8,18H,(H,16,19)
InChIKeyPIEWMLRJDLRRIA-UHFFFAOYSA-N
XLogP1.46
TPSA117.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide (CID 3736023) is N-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide is O=C(NN=Cc1cc([N+](=O)[O-])ccc1O)c1ccncc1.
What is the InChIKey of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide?
The InChIKey is PIEWMLRJDLRRIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O4/c18-12-2-1-11(17(20)21)7-10(12)8-15-16-13(19)9-3-5-14-6-4-9/h1-8,18H,(H,16,19).
What are the key properties of N-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide?
N-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide has a molecular weight of 286.25 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxy-5-nitrophenyl)methylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 3736023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).