4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide

C14H15BrN4 — CID 79718865

IUPAC4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)c2ncc(Br)cc2C)cc1
InChIInChI=1S/C14H15BrN4/c1-9-7-11(15)8-18-14(9)19(2)12-5-3-10(4-6-12)13(16)17/h3-8H,1-2H3,(H3,16,17)
InChIKeyPOFHGPTZSYBSOS-UHFFFAOYSA-N
MW319.21 g/mol
LogP3.20
Rot. Bonds3

About 4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide

4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide (PubChem CID 79718865) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide
PubChem CID79718865
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)c2ncc(Br)cc2C)cc1
InChIInChI=1S/C14H15BrN4/c1-9-7-11(15)8-18-14(9)19(2)12-5-3-10(4-6-12)13(16)17/h3-8H,1-2H3,(H3,16,17)
InChIKeyPOFHGPTZSYBSOS-UHFFFAOYSA-N
XLogP3.20
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 53.20
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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Related Compounds

4-[(5-bromopyrimidin-4-yl)-methylamino]benzenecarboximidamide
CID 66340530
N-[4-(aminomethyl)phenyl]-5-bromo-N,3-dimethylpyridin-2-amine
CID 79712553
4-[methyl-(2-methyl-4-pyridinyl)amino]benzenecarboximidamide
CID 113482500
5-bromo-N-(4-methoxy-3-methylphenyl)-N,3-dimethylpyridin-2-amine
CID 115148484
4-[(5-bromo-3-chloro-2-pyridinyl)-methylamino]-N'-hydroxybenzenecarboximidamide
CID 103582321
5-bromo-N,3-dimethyl-N-naphthalen-2-ylpyridin-2-amine
CID 115148547
4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide
CID 104797731
4-[6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl(methyl)amino]benzenecarboximidamide
CID 62970161
3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide
CID 62971035
3-[(5-bromo-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 55137507
4-[methyl-(1-methylimidazol-2-yl)amino]benzenecarboximidamide
CID 62969809
4-[(5-chloro-6-oxo-1H-pyrimidin-4-yl)-methylamino]benzenecarboximidamide
CID 136971709

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide?
The IUPAC name of 4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide (CID 79718865) is 4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide?
The canonical SMILES for 4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)c2ncc(Br)cc2C)cc1.
What is the InChIKey of 4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide?
The InChIKey is POFHGPTZSYBSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c1-9-7-11(15)8-18-14(9)19(2)12-5-3-10(4-6-12)13(16)17/h3-8H,1-2H3,(H3,16,17).
What are the key properties of 4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide?
4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide has a molecular weight of 319.21 g/mol, XLogP of 3.20, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide is sourced from PubChem (CID 79718865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).