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

C14H15BrN4 — CID 61416094

IUPAC2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)Cc2ccccc2Br)c1
InChIInChI=1S/C14H15BrN4/c1-19(9-11-4-2-3-5-12(11)15)13-8-10(14(16)17)6-7-18-13/h2-8H,9H2,1H3,(H3,16,17)
InChIKeyLCURIWOJVRLLKZ-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.76
Rot. Bonds4

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

2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide (PubChem CID 61416094) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide.

Molecular Properties

Compound Name2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide
PubChem CID61416094
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide
SMILES[H]/N=C(\N)c1ccnc(N(C)Cc2ccccc2Br)c1
InChIInChI=1S/C14H15BrN4/c1-19(9-11-4-2-3-5-12(11)15)13-8-10(14(16)17)6-7-18-13/h2-8H,9H2,1H3,(H3,16,17)
InChIKeyLCURIWOJVRLLKZ-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'}

Analyze 2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[methyl(propyl)amino]pyridine-4-carboximidamide
CID 43271318
2-[methyl(2,2,2-trifluoroethyl)amino]pyridine-4-carboximidamide
CID 60891190
N-[(2-bromophenyl)methyl]-N-methyl-4-(methylaminomethyl)pyridin-2-amine
CID 62293554
3-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 82799418
3-bromo-4-[(2-fluorophenyl)methyl-methylamino]benzenecarboximidamide
CID 82799105
2-(N-ethyl-2-methylanilino)pyridine-4-carboximidamide
CID 24700128
4-[(2-bromophenyl)methyl-methylamino]pyridine-2-carboxamide
CID 133313281
2-[methyl(oxan-3-ylmethyl)amino]pyridine-4-carboximidamide
CID 55226040
3-[[(3-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]benzenecarboximidamide
CID 106875399
4-N-[(2-bromophenyl)methyl]-2-N,4-N-dimethylpyrimidine-2,4-diamine
CID 80794402
4-N-[(2-bromophenyl)methyl]-4-N,6-N-dimethylpyrimidine-4,6-diamine
CID 80793977
2-[methyl(1-thiophen-2-ylpropan-2-yl)amino]pyridine-4-carboximidamide
CID 79476522

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide?
The IUPAC name of 2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide (CID 61416094) is 2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide.
What is the SMILES notation for 2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide?
The canonical SMILES for 2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide is [H]/N=C(\N)c1ccnc(N(C)Cc2ccccc2Br)c1.
What is the InChIKey of 2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide?
The InChIKey is LCURIWOJVRLLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c1-19(9-11-4-2-3-5-12(11)15)13-8-10(14(16)17)6-7-18-13/h2-8H,9H2,1H3,(H3,16,17).
What are the key properties of 2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide?
2-[(2-bromophenyl)methyl-methylamino]pyridine-4-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 2-[(2-bromophenyl)methyl-methylamino]pyridine-4-carboximidamide is sourced from PubChem (CID 61416094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).