4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide

C14H16N4 — CID 113482500

IUPAC4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)c2ccnc(C)c2)cc1
InChIInChI=1S/C14H16N4/c1-10-9-13(7-8-17-10)18(2)12-5-3-11(4-6-12)14(15)16/h3-9H,1-2H3,(H3,15,16)
InChIKeyYFFNSENJMCODKO-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.44
Rot. Bonds3

About 4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide

4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide (PubChem CID 113482500) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide
PubChem CID113482500
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)c2ccnc(C)c2)cc1
InChIInChI=1S/C14H16N4/c1-10-9-13(7-8-17-10)18(2)12-5-3-11(4-6-12)14(15)16/h3-9H,1-2H3,(H3,15,16)
InChIKeyYFFNSENJMCODKO-UHFFFAOYSA-N
XLogP2.44
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.44
H-Bond Donors ≤ 52
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 4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide?
The IUPAC name of 4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide (CID 113482500) is 4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide.
What is the SMILES notation for 4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide?
The canonical SMILES for 4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)c2ccnc(C)c2)cc1.
What is the InChIKey of 4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide?
The InChIKey is YFFNSENJMCODKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-10-9-13(7-8-17-10)18(2)12-5-3-11(4-6-12)14(15)16/h3-9H,1-2H3,(H3,15,16).
What are the key properties of 4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide?
4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide has a molecular weight of 240.31 g/mol, XLogP of 2.44, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide is sourced from PubChem (CID 113482500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).