3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide

C14H15N3O — CID 112650495

IUPAC3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2ncccc2C)c1
InChIInChI=1S/C14H15N3O/c1-10-4-3-7-17-13(10)9-18-12-6-2-5-11(8-12)14(15)16/h2-8H,9H2,1H3,(H3,15,16)
InChIKeyPOKDOBFDAZMKFX-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.25
Rot. Bonds4

About 3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide

3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide (PubChem CID 112650495) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide
PubChem CID112650495
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1cccc(OCc2ncccc2C)c1
InChIInChI=1S/C14H15N3O/c1-10-4-3-7-17-13(10)9-18-12-6-2-5-11(8-12)14(15)16/h2-8H,9H2,1H3,(H3,15,16)
InChIKeyPOKDOBFDAZMKFX-UHFFFAOYSA-N
XLogP2.25
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.25
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'}

Analyze 3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[[3-[(3-carbamimidoylphenoxy)methyl]-5-methylphenyl]methoxy]benzenecarboximidamide;dihydrochloride
CID 156508315
potassium trifluoro-[3-[(3-methyl-2-pyridinyl)methoxy]phenyl]boranuide
CID 115982175
3-[methyl-(3-methyl-2-pyridinyl)amino]benzenecarboximidamide
CID 62971035
3-[(3-ethoxyphenoxy)methyl]benzenecarboximidamide
CID 62336532
3-[(3,4,5-trimethoxyphenyl)methoxy]benzenecarboximidamide
CID 82253908
3-[(3-methylphenoxy)methyl]pyridine-2-carboximidamide
CID 62894051
3-(2-phenoxyethoxy)benzenecarboximidamide;hydrochloride
CID 82253521
3-[2-(dimethylamino)ethoxy]benzenecarboximidamide
CID 24702581
3-[(3,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 82918831
3-(4,4,4-trifluorobutoxy)benzenecarboximidamide
CID 115514127
3-[(5-chloro-2-fluorophenyl)methoxy]benzenecarboximidamide
CID 103046763
3-[(2-methylphenoxy)methyl]benzenecarboximidamide
CID 24701017

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide?
The IUPAC name of 3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide (CID 112650495) is 3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1cccc(OCc2ncccc2C)c1.
What is the InChIKey of 3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide?
The InChIKey is POKDOBFDAZMKFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-4-3-7-17-13(10)9-18-12-6-2-5-11(8-12)14(15)16/h2-8H,9H2,1H3,(H3,15,16).
What are the key properties of 3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide?
3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide has a molecular weight of 241.29 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-pyridinyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 112650495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).