N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine

C11H10N4 — CID 5351686

IUPACN-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine
SMILESC(=N/Nc1ccccn1)\c1cccnc1
InChIInChI=1S/C11H10N4/c1-2-7-13-11(5-1)15-14-9-10-4-3-6-12-8-10/h1-9H,(H,13,15)/b14-9+
InChIKeyZMTRKIYGCKYPTF-NTEUORMPSA-N
MW198.23 g/mol
LogP1.92
Rot. Bonds3

About N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine

N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine (PubChem CID 5351686) has the molecular formula C11H10N4 and a molecular weight of 198.23 g/mol. Its IUPAC name is N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine
PubChem CID5351686
Molecular FormulaC11H10N4
Molecular Weight198.23 g/mol
Exact Mass198.09
IUPAC NameN-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine
SMILESC(=N/Nc1ccccn1)\c1cccnc1
InChIInChI=1S/C11H10N4/c1-2-7-13-11(5-1)15-14-9-10-4-3-6-12-8-10/h1-9H,(H,13,15)/b14-9+
InChIKeyZMTRKIYGCKYPTF-NTEUORMPSA-N
XLogP1.92
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 51.92
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-3-ylmethylideneamino]pyridin-2-amine?
The IUPAC name of N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine (CID 5351686) is N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine is C(=N/Nc1ccccn1)\c1cccnc1.
What is the InChIKey of N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine?
The InChIKey is ZMTRKIYGCKYPTF-NTEUORMPSA-N. The full InChI is InChI=1S/C11H10N4/c1-2-7-13-11(5-1)15-14-9-10-4-3-6-12-8-10/h1-9H,(H,13,15)/b14-9+.
What are the key properties of N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine?
N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine has a molecular weight of 198.23 g/mol, XLogP of 1.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-pyridin-3-ylmethylideneamino]pyridin-2-amine is sourced from PubChem (CID 5351686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).