N,N'-bis(6-methyl-2-pyridinyl)methanimidamide

C13H14N4 — CID 12983876

IUPACN,N'-bis(6-methyl-2-pyridinyl)methanimidamide
SMILESCc1cccc(N=CNc2cccc(C)n2)n1
InChIInChI=1S/C13H14N4/c1-10-5-3-7-12(16-10)14-9-15-13-8-4-6-11(2)17-13/h3-9H,1-2H3,(H,14,15,16,17)
InChIKeyNHZPGBFNFJOHEI-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.87
Rot. Bonds3

About N,N'-bis(6-methyl-2-pyridinyl)methanimidamide

N,N'-bis(6-methyl-2-pyridinyl)methanimidamide (PubChem CID 12983876) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is N,N'-bis(6-methyl-2-pyridinyl)methanimidamide.

Molecular Properties

Compound NameN,N'-bis(6-methyl-2-pyridinyl)methanimidamide
PubChem CID12983876
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC NameN,N'-bis(6-methyl-2-pyridinyl)methanimidamide
SMILESCc1cccc(N=CNc2cccc(C)n2)n1
InChIInChI=1S/C13H14N4/c1-10-5-3-7-12(16-10)14-9-15-13-8-4-6-11(2)17-13/h3-9H,1-2H3,(H,14,15,16,17)
InChIKeyNHZPGBFNFJOHEI-UHFFFAOYSA-N
XLogP2.87
TPSA50.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-bis(6-methyl-2-pyridinyl)methanimidamide?
The IUPAC name of N,N'-bis(6-methyl-2-pyridinyl)methanimidamide (CID 12983876) is N,N'-bis(6-methyl-2-pyridinyl)methanimidamide.
What is the SMILES notation for N,N'-bis(6-methyl-2-pyridinyl)methanimidamide?
The canonical SMILES for N,N'-bis(6-methyl-2-pyridinyl)methanimidamide is Cc1cccc(N=CNc2cccc(C)n2)n1.
What is the InChIKey of N,N'-bis(6-methyl-2-pyridinyl)methanimidamide?
The InChIKey is NHZPGBFNFJOHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-10-5-3-7-12(16-10)14-9-15-13-8-4-6-11(2)17-13/h3-9H,1-2H3,(H,14,15,16,17).
What are the key properties of N,N'-bis(6-methyl-2-pyridinyl)methanimidamide?
N,N'-bis(6-methyl-2-pyridinyl)methanimidamide has a molecular weight of 226.28 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(6-methyl-2-pyridinyl)methanimidamide is sourced from PubChem (CID 12983876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).