6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide

C15H18N4O — CID 64596135

IUPAC6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)Cc2ccc(OC)cc2)n1
InChIInChI=1S/C15H18N4O/c1-19(10-11-6-8-12(20-2)9-7-11)14-5-3-4-13(18-14)15(16)17/h3-9H,10H2,1-2H3,(H3,16,17)
InChIKeyDKSMGJWRHNSLEC-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.01
Rot. Bonds5

About 6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide

6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide (PubChem CID 64596135) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide
PubChem CID64596135
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC Name6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1cccc(N(C)Cc2ccc(OC)cc2)n1
InChIInChI=1S/C15H18N4O/c1-19(10-11-6-8-12(20-2)9-7-11)14-5-3-4-13(18-14)15(16)17/h3-9H,10H2,1-2H3,(H3,16,17)
InChIKeyDKSMGJWRHNSLEC-UHFFFAOYSA-N
XLogP2.01
TPSA75.23 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-[(4-methoxyphenyl)methyl-methylamino]benzenecarboximidamide
CID 61417684
6-[butan-2-yl(methyl)amino]pyridine-2-carboximidamide
CID 64596128
4-[(4-methoxyphenyl)methyl-methylamino]-2-methylbenzenecarboximidamide
CID 81270232
6-[(4-chlorophenyl)methyl-methylamino]pyridine-2-carbothioamide
CID 64589054
pyridine-2,6-dicarboximidamide
CID 23373306
2-[(4-methoxyphenyl)methyl-methylamino]ethanimidamide
CID 61417970
6-(3,5-dimethoxyphenoxy)pyridine-2-carboximidamide
CID 64594798
6-[benzyl(methyl)amino]pyrimidine-4-carboximidamide
CID 130551332
6-(3-methoxyphenyl)pyridine-2-carboximidamide;hydrochloride
CID 53485064
6-[2-hydroxyethyl(propan-2-yl)amino]pyridine-2-carboximidamide
CID 64594960
5-methoxypyridine-2-carboximidamide;hydrochloride
CID 53484941
6-[ethyl-[(4-methoxyphenyl)methyl]amino]pyridine-2-carboxylic acid
CID 122054452

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide?
The IUPAC name of 6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide (CID 64596135) is 6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide.
What is the SMILES notation for 6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide?
The canonical SMILES for 6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide is [H]/N=C(\N)c1cccc(N(C)Cc2ccc(OC)cc2)n1.
What is the InChIKey of 6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide?
The InChIKey is DKSMGJWRHNSLEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19(10-11-6-8-12(20-2)9-7-11)14-5-3-4-13(18-14)15(16)17/h3-9H,10H2,1-2H3,(H3,16,17).
What are the key properties of 6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide?
6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide has a molecular weight of 270.34 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methyl-methylamino]pyridine-2-carboximidamide is sourced from PubChem (CID 64596135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).