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

C16H20N4 — CID 114483390

IUPAC3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)Cc2ccncc2)c(C)c1
InChIInChI=1S/C16H20N4/c1-12-9-14(16(17)18)3-4-15(12)11-20(2)10-13-5-7-19-8-6-13/h3-9H,10-11H2,1-2H3,(H3,17,18)
InChIKeyVGVWBJIGDSOGJY-UHFFFAOYSA-N
MW268.36 g/mol
LogP2.31
Rot. Bonds5

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

3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide (PubChem CID 114483390) has the molecular formula C16H20N4 and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide
PubChem CID114483390
Molecular FormulaC16H20N4
Molecular Weight268.36 g/mol
Exact Mass268.17
IUPAC Name3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(CN(C)Cc2ccncc2)c(C)c1
InChIInChI=1S/C16H20N4/c1-12-9-14(16(17)18)3-4-15(12)11-20(2)10-13-5-7-19-8-6-13/h3-9H,10-11H2,1-2H3,(H3,17,18)
InChIKeyVGVWBJIGDSOGJY-UHFFFAOYSA-N
XLogP2.31
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 52.31
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-methyl-4-[[methyl-[(6-methyl-2-pyridinyl)methyl]amino]methyl]benzenecarboximidamide
CID 114483605
4-[[3-hydroxypropyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114230260
4-[[2-methoxyethyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483433
4-[[5-hydroxypentyl(methyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 107200228
4-[(N,4-dimethylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483514
4-[(4-ethyl-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483508
4-[[butyl(ethyl)amino]methyl]-3-methylbenzenecarboximidamide
CID 114483347
4-[[(1-ethylpiperidin-4-yl)-methylamino]methyl]-3-methylbenzenecarboximidamide
CID 114483486
4-[(2-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483505
3-[[(2-bromo-4-fluorophenyl)methyl-methylamino]methyl]benzenecarboximidamide
CID 62967389
3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 54933735
3-chloro-4-[[ethyl(methyl)amino]methyl]benzenecarboximidamide
CID 102667744

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide?
The IUPAC name of 3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide (CID 114483390) is 3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide.
What is the SMILES notation for 3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide?
The canonical SMILES for 3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccc(CN(C)Cc2ccncc2)c(C)c1.
What is the InChIKey of 3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide?
The InChIKey is VGVWBJIGDSOGJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4/c1-12-9-14(16(17)18)3-4-15(12)11-20(2)10-13-5-7-19-8-6-13/h3-9H,10-11H2,1-2H3,(H3,17,18).
What are the key properties of 3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide?
3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide has a molecular weight of 268.36 g/mol, XLogP of 2.31, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide is sourced from PubChem (CID 114483390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).