6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide

C15H18N4 — CID 28799322

IUPAC6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2ccc(C)cc2)nc1
InChIInChI=1S/C15H18N4/c1-11-3-5-12(6-4-11)10-19(2)14-8-7-13(9-18-14)15(16)17/h3-9H,10H2,1-2H3,(H3,16,17)
InChIKeyNKGIGGNDNBFIFS-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.31
Rot. Bonds4

About 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide

6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide (PubChem CID 28799322) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide
PubChem CID28799322
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2ccc(C)cc2)nc1
InChIInChI=1S/C15H18N4/c1-11-3-5-12(6-4-11)10-19(2)14-8-7-13(9-18-14)15(16)17/h3-9H,10H2,1-2H3,(H3,16,17)
InChIKeyNKGIGGNDNBFIFS-UHFFFAOYSA-N
XLogP2.31
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.31
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 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide?
The IUPAC name of 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide (CID 28799322) is 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide.
What is the SMILES notation for 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide?
The canonical SMILES for 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(N(C)Cc2ccc(C)cc2)nc1.
What is the InChIKey of 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide?
The InChIKey is NKGIGGNDNBFIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-3-5-12(6-4-11)10-19(2)14-8-7-13(9-18-14)15(16)17/h3-9H,10H2,1-2H3,(H3,16,17).
What are the key properties of 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide?
6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide has a molecular weight of 254.34 g/mol, XLogP of 2.31, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl-[(4-methylphenyl)methyl]amino]pyridine-3-carboximidamide is sourced from PubChem (CID 28799322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).