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

C15H18N4 — CID 54933735

IUPAC3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2cccnc2)c(C)c1
InChIInChI=1S/C15H18N4/c1-11-8-13(15(16)17)5-6-14(11)19(2)10-12-4-3-7-18-9-12/h3-9H,10H2,1-2H3,(H3,16,17)
InChIKeyYDUKGWZYBNSFOM-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.31
Rot. Bonds4

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

3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide (PubChem CID 54933735) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
PubChem CID54933735
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)Cc2cccnc2)c(C)c1
InChIInChI=1S/C15H18N4/c1-11-8-13(15(16)17)5-6-14(11)19(2)10-12-4-3-7-18-9-12/h3-9H,10H2,1-2H3,(H3,16,17)
InChIKeyYDUKGWZYBNSFOM-UHFFFAOYSA-N
XLogP2.31
TPSA66.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
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

6-[methyl(pyridin-3-ylmethyl)amino]pyridine-3-carboximidamide
CID 43563471
2-bromo-3-fluoro-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 107536326
3-[methyl(pyridin-3-ylmethyl)amino]pyrazine-2-carboximidamide
CID 62684033
5-methyl-2-[methyl(pyridin-3-ylmethyl)amino]benzenecarbothioamide
CID 107928562
2-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-4-carboximidamide
CID 107550165
3-methyl-4-[methyl(3-methylbutyl)amino]benzenecarboximidamide
CID 61428935
1-[3-chloro-4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanone
CID 62909147
3-fluoro-N'-hydroxy-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide
CID 43658182
3-[[methyl(pyridin-4-yl)amino]methyl]benzenecarboximidamide
CID 62968427
4-[(2-methoxy-N-methylanilino)methyl]-3-methylbenzenecarboximidamide
CID 114483505
3-methyl-4-[[methyl(pyridin-4-ylmethyl)amino]methyl]benzenecarboximidamide
CID 114483390
4-[butan-2-yl(methyl)amino]-3-methylbenzenecarboximidamide
CID 60929832

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide?
The IUPAC name of 3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide (CID 54933735) is 3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide.
What is the SMILES notation for 3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide?
The canonical SMILES for 3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)Cc2cccnc2)c(C)c1.
What is the InChIKey of 3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide?
The InChIKey is YDUKGWZYBNSFOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-11-8-13(15(16)17)5-6-14(11)19(2)10-12-4-3-7-18-9-12/h3-9H,10H2,1-2H3,(H3,16,17).
What are the key properties of 3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide?
3-methyl-4-[methyl(pyridin-3-ylmethyl)amino]benzenecarboximidamide has a molecular weight of 254.34 g/mol, XLogP of 2.31, 4 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-3-ylmethyl)amino]benzenecarboximidamide is sourced from PubChem (CID 54933735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).