N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide

C14H15N3O — CID 55160748

IUPACN'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide
SMILESCOc1ccc(C/N=C(\N)c2ccccc2)cn1
InChIInChI=1S/C14H15N3O/c1-18-13-8-7-11(9-16-13)10-17-14(15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,15,17)
InChIKeyKWQMYEQMHQWZOZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.00
Rot. Bonds4

About N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide

N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide (PubChem CID 55160748) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide
PubChem CID55160748
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide
SMILESCOc1ccc(C/N=C(\N)c2ccccc2)cn1
InChIInChI=1S/C14H15N3O/c1-18-13-8-7-11(9-16-13)10-17-14(15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,15,17)
InChIKeyKWQMYEQMHQWZOZ-UHFFFAOYSA-N
XLogP2.00
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.00
H-Bond Donors ≤ 51
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

2-[(6-methoxy-3-pyridinyl)methyl]-1,1,3,3-tetramethylguanidine
CID 111038740
2-[(6-methoxy-3-pyridinyl)methyl]-1-propan-2-ylguanidine
CID 62989669
2-[(6-methoxy-3-pyridinyl)methyl]-1-propylguanidine;hydroiodide
CID 110924455
2-[(6-methoxy-3-pyridinyl)methyl]-1-(2-methylprop-2-enyl)guanidine
CID 111038772
N'-(1H-pyrazol-4-ylmethyl)benzenecarboximidamide
CID 63177958
1-(1-methoxypropan-2-yl)-2-[(6-methoxy-3-pyridinyl)methyl]guanidine
CID 111038786
N'-(2-aminoethyl)-6-methoxypyridine-3-carboximidamide
CID 135213527
2-[(6-methoxy-3-pyridinyl)methyl]-1-octylguanidine
CID 111038712
1-ethyl-2-[(6-methoxy-3-pyridinyl)methyl]-3-(3-phenoxypropyl)guanidine;hydroiodide
CID 111417594
2-[(6-propoxy-3-pyridinyl)methyl]guanidine
CID 111108995
N'-[2-(4-methoxyphenyl)ethyl]benzenecarboximidamide
CID 62048855
1,1,3,3-tetramethyl-2-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111061060

Frequently Asked Questions

What is the IUPAC name of N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide?
The IUPAC name of N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide (CID 55160748) is N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide.
What is the SMILES notation for N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide?
The canonical SMILES for N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide is COc1ccc(C/N=C(\N)c2ccccc2)cn1.
What is the InChIKey of N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide?
The InChIKey is KWQMYEQMHQWZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-13-8-7-11(9-16-13)10-17-14(15)12-5-3-2-4-6-12/h2-9H,10H2,1H3,(H2,15,17).
What are the key properties of N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide?
N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide has a molecular weight of 241.29 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(6-methoxy-3-pyridinyl)methyl]benzenecarboximidamide is sourced from PubChem (CID 55160748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).