N-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine

C10H11N5 — CID 177417633

IUPACN-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine
SMILESCc1ncc(/C=N/Nc2ccccn2)[nH]1
InChIInChI=1S/C10H11N5/c1-8-12-6-9(14-8)7-13-15-10-4-2-3-5-11-10/h2-7H,1H3,(H,11,15)(H,12,14)/b13-7+
InChIKeyJECCIYMWTZFRDD-NTUHNPAUSA-N
MW201.23 g/mol
LogP1.56
Rot. Bonds3

About N-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine

N-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine (PubChem CID 177417633) has the molecular formula C10H11N5 and a molecular weight of 201.23 g/mol. Its IUPAC name is N-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine.

Molecular Properties

Compound NameN-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine
PubChem CID177417633
Molecular FormulaC10H11N5
Molecular Weight201.23 g/mol
Exact Mass201.10
IUPAC NameN-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine
SMILESCc1ncc(/C=N/Nc2ccccn2)[nH]1
InChIInChI=1S/C10H11N5/c1-8-12-6-9(14-8)7-13-15-10-4-2-3-5-11-10/h2-7H,1H3,(H,11,15)(H,12,14)/b13-7+
InChIKeyJECCIYMWTZFRDD-NTUHNPAUSA-N
XLogP1.56
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.56
H-Bond Donors ≤ 52
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)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine?
The IUPAC name of N-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine (CID 177417633) is N-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine.
What is the SMILES notation for N-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine?
The canonical SMILES for N-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine is Cc1ncc(/C=N/Nc2ccccn2)[nH]1.
What is the InChIKey of N-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine?
The InChIKey is JECCIYMWTZFRDD-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H11N5/c1-8-12-6-9(14-8)7-13-15-10-4-2-3-5-11-10/h2-7H,1H3,(H,11,15)(H,12,14)/b13-7+.
What are the key properties of N-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine?
N-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine has a molecular weight of 201.23 g/mol, XLogP of 1.56, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-methyl-1H-imidazol-5-yl)methylideneamino]pyridin-2-amine is sourced from PubChem (CID 177417633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).