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

C14H15BrN4 — CID 104797731

IUPAC4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2cncc(Br)c2)cc1
InChIInChI=1S/C14H15BrN4/c1-19(9-10-6-12(15)8-18-7-10)13-4-2-11(3-5-13)14(16)17/h2-8H,9H2,1H3,(H3,16,17)
InChIKeyUCMMANWWAFYABI-UHFFFAOYSA-N
MW319.21 g/mol
LogP2.76
Rot. Bonds4

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

4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide (PubChem CID 104797731) has the molecular formula C14H15BrN4 and a molecular weight of 319.21 g/mol. Its IUPAC name is 4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide.

Molecular Properties

Compound Name4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide
PubChem CID104797731
Molecular FormulaC14H15BrN4
Molecular Weight319.21 g/mol
Exact Mass318.05
IUPAC Name4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2cncc(Br)c2)cc1
InChIInChI=1S/C14H15BrN4/c1-19(9-10-6-12(15)8-18-7-10)13-4-2-11(3-5-13)14(16)17/h2-8H,9H2,1H3,(H3,16,17)
InChIKeyUCMMANWWAFYABI-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

4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
CID 82240686
4-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide
CID 62968427
4-[3-(4-carbamimidoyl-N-methylanilino)propyl-methylamino]benzenecarboximidamide
CID 122182388
5-[(4-bromophenyl)methyl-methylamino]pyridine-2-carboximidamide
CID 115489551
4-[(5-bromo-3-methyl-2-pyridinyl)-methylamino]benzenecarboximidamide
CID 79718865
4-[(2,5-dichlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 65317772
2-bromo-4-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
CID 107279167
4-[methyl-[(1-propan-2-ylpyrazol-3-yl)methyl]amino]benzenecarboximidamide
CID 64773091
4-[3-(dimethylamino)propyl-methylamino]benzenecarboximidamide
CID 63693855
3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 54933735
4-[(N,4-dimethylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483514

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide?
The IUPAC name of 4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide (CID 104797731) is 4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide.
What is the SMILES notation for 4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide?
The canonical SMILES for 4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)Cc2cncc(Br)c2)cc1.
What is the InChIKey of 4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide?
The InChIKey is UCMMANWWAFYABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4/c1-19(9-10-6-12(15)8-18-7-10)13-4-2-11(3-5-13)14(16)17/h2-8H,9H2,1H3,(H3,16,17).
What are the key properties of 4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide?
4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide 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 4-[(5-bromo-3-pyridinyl)methyl-methylamino]benzenecarboximidamide is sourced from PubChem (CID 104797731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).