N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide

C15H16N4 — CID 5479755

IUPACN'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide
SMILESCc1ccc(C=N/N=C(\N)c2ccccn2)c(C)c1
InChIInChI=1S/C15H16N4/c1-11-6-7-13(12(2)9-11)10-18-19-15(16)14-5-3-4-8-17-14/h3-10H,1-2H3,(H2,16,19)
InChIKeyIRKNMIGKGZPOON-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.44
Rot. Bonds3

About N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide

N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide (PubChem CID 5479755) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide.

Molecular Properties

Compound NameN'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide
PubChem CID5479755
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC NameN'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide
SMILESCc1ccc(C=N/N=C(\N)c2ccccn2)c(C)c1
InChIInChI=1S/C15H16N4/c1-11-6-7-13(12(2)9-11)10-18-19-15(16)14-5-3-4-8-17-14/h3-10H,1-2H3,(H2,16,19)
InChIKeyIRKNMIGKGZPOON-UHFFFAOYSA-N
XLogP2.44
TPSA63.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.44
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide?
The IUPAC name of N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide (CID 5479755) is N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide.
What is the SMILES notation for N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide?
The canonical SMILES for N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide is Cc1ccc(C=N/N=C(\N)c2ccccn2)c(C)c1.
What is the InChIKey of N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide?
The InChIKey is IRKNMIGKGZPOON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-11-6-7-13(12(2)9-11)10-18-19-15(16)14-5-3-4-8-17-14/h3-10H,1-2H3,(H2,16,19).
What are the key properties of N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide?
N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide has a molecular weight of 252.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,4-dimethylphenyl)methylideneamino]pyridine-2-carboximidamide is sourced from PubChem (CID 5479755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).