N-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide

C12H10N4O — CID 5469565

IUPACN-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccccn1)c1ccncc1
InChIInChI=1S/C12H10N4O/c17-12(10-4-7-13-8-5-10)16-15-9-11-3-1-2-6-14-11/h1-9H,(H,16,17)/b15-9+
InChIKeyWRHZTTISLCLBBE-OQLLNIDSSA-N
MW226.24 g/mol
LogP1.24
Rot. Bonds3

About N-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide

N-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide (PubChem CID 5469565) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide
PubChem CID5469565
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC NameN-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide
SMILESO=C(N/N=C/c1ccccn1)c1ccncc1
InChIInChI=1S/C12H10N4O/c17-12(10-4-7-13-8-5-10)16-15-9-11-3-1-2-6-14-11/h1-9H,(H,16,17)/b15-9+
InChIKeyWRHZTTISLCLBBE-OQLLNIDSSA-N
XLogP1.24
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide?
The IUPAC name of N-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide (CID 5469565) is N-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide.
What is the SMILES notation for N-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide?
The canonical SMILES for N-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide is O=C(N/N=C/c1ccccn1)c1ccncc1.
What is the InChIKey of N-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide?
The InChIKey is WRHZTTISLCLBBE-OQLLNIDSSA-N. The full InChI is InChI=1S/C12H10N4O/c17-12(10-4-7-13-8-5-10)16-15-9-11-3-1-2-6-14-11/h1-9H,(H,16,17)/b15-9+.
What are the key properties of N-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide?
N-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide has a molecular weight of 226.24 g/mol, XLogP of 1.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-2-ylmethylideneamino]pyridine-4-carboxamide is sourced from PubChem (CID 5469565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).