5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide

C14H15BrN4 — CID 115489551

IUPAC5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2ccc(Br)cc2)cn1
InChIInChI=1S/C14H15BrN4/c1-19(9-10-2-4-11(15)5-3-10)12-6-7-13(14(16)17)18-8-12/h2-8H,9H2,1H3,(H3,16,17)
InChIKeyAZGKLTLKPINWJG-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.76
Rot. Bonds4

About 5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide

5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide (PubChem CID 115489551) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide
PubChem CID115489551
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2ccc(Br)cc2)cn1
InChIInChI=1S/C14H15BrN4/c1-19(9-10-2-4-11(15)5-3-10)12-6-7-13(14(16)17)18-8-12/h2-8H,9H2,1H3,(H3,16,17)
InChIKeyAZGKLTLKPINWJG-UHFFFAOYSA-N
XLogP2.76
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.21
LogP ≤ 52.76
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

5-[(2-hydroxy-3-methoxypropyl)-methylamino]pyridine-2-carboximidamide
CID 113321215
5-[(3-bromophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 115488314
2-[(4-bromophenyl)methyl-methylamino]-3-methylbenzenecarboximidamide
CID 107110089
4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide
CID 104797731
5-[methyl(oxan-2-ylmethyl)amino]pyridine-2-carboximidamide
CID 113321204
5-[(3-bromophenyl)methyl-methylamino]-N'-hydroxypyridine-2-carboximidamide
CID 136990531
5-(N-ethyl-4-methylanilino)pyridine-2-carboximidamide
CID 115489614
2-bromo-4-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
CID 107279167
4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
CID 82240686
5-[2-methylpropyl(pentan-3-yl)amino]pyridine-2-carboximidamide
CID 115489703
4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
4-(2-aminoethyl)-N-[(4-bromophenyl)methyl]-N-methylaniline
CID 63786890

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide?
The IUPAC name of 5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide (CID 115489551) is 5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide.
What is the SMILES notation for 5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide?
The canonical SMILES for 5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide is [H]/N=C(\N)c1ccc(N(C)Cc2ccc(Br)cc2)cn1.
What is the InChIKey of 5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide?
The InChIKey is AZGKLTLKPINWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c1-19(9-10-2-4-11(15)5-3-10)12-6-7-13(14(16)17)18-8-12/h2-8H,9H2,1H3,(H3,16,17).
What are the key properties of 5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide?
5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide has a molecular weight of 319.21 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide is sourced from PubChem (CID 115489551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).