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

C13H10N4O3 — CID 6893809

IUPACN-[(E)-(2-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C13H10N4O3/c18-13(11-5-3-7-14-8-11)16-15-9-10-4-1-2-6-12(10)17(19)20/h1-9H,(H,16,18)/b15-9+
InChIKeyAZBPLNRNLLASGG-OQLLNIDSSA-N
MW270.25 g/mol
LogP1.75
Rot. Bonds4

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

N-[(E)-(2-nitrophenyl)methylideneamino]pyridine-3-carboxamide (PubChem CID 6893809) has the molecular formula C13H10N4O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is N-[(E)-(2-nitrophenyl)methylideneamino]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(E)-(2-nitrophenyl)methylideneamino]pyridine-3-carboxamide
PubChem CID6893809
Molecular FormulaC13H10N4O3
Molecular Weight270.25 g/mol
Exact Mass270.08
IUPAC NameN-[(E)-(2-nitrophenyl)methylideneamino]pyridine-3-carboxamide
SMILESO=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccnc1
InChIInChI=1S/C13H10N4O3/c18-13(11-5-3-7-14-8-11)16-15-9-10-4-1-2-6-12(10)17(19)20/h1-9H,(H,16,18)/b15-9+
InChIKeyAZBPLNRNLLASGG-OQLLNIDSSA-N
XLogP1.75
TPSA97.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-[(E)-(2-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The IUPAC name of N-[(E)-(2-nitrophenyl)methylideneamino]pyridine-3-carboxamide (CID 6893809) is N-[(E)-(2-nitrophenyl)methylideneamino]pyridine-3-carboxamide.
What is the SMILES notation for N-[(E)-(2-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The canonical SMILES for N-[(E)-(2-nitrophenyl)methylideneamino]pyridine-3-carboxamide is O=C(N/N=C/c1ccccc1[N+](=O)[O-])c1cccnc1.
What is the InChIKey of N-[(E)-(2-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
The InChIKey is AZBPLNRNLLASGG-OQLLNIDSSA-N. The full InChI is InChI=1S/C13H10N4O3/c18-13(11-5-3-7-14-8-11)16-15-9-10-4-1-2-6-12(10)17(19)20/h1-9H,(H,16,18)/b15-9+.
What are the key properties of N-[(E)-(2-nitrophenyl)methylideneamino]pyridine-3-carboxamide?
N-[(E)-(2-nitrophenyl)methylideneamino]pyridine-3-carboxamide has a molecular weight of 270.25 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-nitrophenyl)methylideneamino]pyridine-3-carboxamide is sourced from PubChem (CID 6893809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).