3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide

C14H16N4 — CID 62968427

IUPAC3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(C)c2ccncc2)c1
InChIInChI=1S/C14H16N4/c1-18(13-5-7-17-8-6-13)10-11-3-2-4-12(9-11)14(15)16/h2-9H,10H2,1H3,(H3,15,16)
InChIKeyRJHMXZDZKHHVKY-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.00
Rot. Bonds4

About 3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide

3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide (PubChem CID 62968427) has the molecular formula C14H16N4 and a molecular weight of 240.31 g/mol. Its IUPAC name is 3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide
PubChem CID62968427
Molecular FormulaC14H16N4
Molecular Weight240.31 g/mol
Exact Mass240.14
IUPAC Name3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(CN(C)c2ccncc2)c1
InChIInChI=1S/C14H16N4/c1-18(13-5-7-17-8-6-13)10-11-3-2-4-12(9-11)14(15)16/h2-9H,10H2,1H3,(H3,15,16)
InChIKeyRJHMXZDZKHHVKY-UHFFFAOYSA-N
XLogP2.00
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.00
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

3-[3-[(N-methylanilino)methyl]phenyl]benzenecarboximidamide
CID 59894348
3-[[(5-fluoropyrimidin-2-yl)-methylamino]methyl]benzenecarboximidamide
CID 104606162
3-[methyl(thiophen-3-ylmethyl)amino]benzenecarboximidamide
CID 62969953
3-[[(3-bromo-4-methyl-2-pyridinyl)-methylamino]methyl]benzenecarboximidamide
CID 106875399
3-[(3,5-dimethylphenyl)methyl-methylamino]benzenecarboximidamide
CID 62971701
N-[(3-aminophenyl)methyl]-N-methylpyridin-4-amine
CID 60877422
4-[benzyl(methyl)amino]benzenecarboximidamide;hydrochloride
CID 82240686
3-[[(3,5-difluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 105403802
3-[[methyl(4-methylpentan-2-yl)amino]methyl]benzenecarboximidamide
CID 54999579
3-[[2-ethylbutyl(methyl)amino]methyl]benzenecarboximidamide
CID 82926171
3-[[methyl(pentyl)amino]methyl]benzenecarboximidamide
CID 43294977
3-[[(2,6-difluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 114930355

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide (CID 62968427) is 3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1cccc(CN(C)c2ccncc2)c1.
What is the InChIKey of 3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide?
The InChIKey is RJHMXZDZKHHVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4/c1-18(13-5-7-17-8-6-13)10-11-3-2-4-12(9-11)14(15)16/h2-9H,10H2,1H3,(H3,15,16).
What are the key properties of 3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide?
3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide has a molecular weight of 240.31 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 62968427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).