2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide

C14H15N3O — CID 3070017

IUPAC2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide
SMILESCOc1nc(C)ccc1/C(N)=N/c1ccccc1
InChIInChI=1S/C14H15N3O/c1-10-8-9-12(14(16-10)18-2)13(15)17-11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,15,17)
InChIKeyDFHHDWSJQBROEW-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.44
Rot. Bonds3

About 2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide

2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide (PubChem CID 3070017) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide.

Molecular Properties

Compound Name2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide
PubChem CID3070017
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide
SMILESCOc1nc(C)ccc1/C(N)=N/c1ccccc1
InChIInChI=1S/C14H15N3O/c1-10-8-9-12(14(16-10)18-2)13(15)17-11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,15,17)
InChIKeyDFHHDWSJQBROEW-UHFFFAOYSA-N
XLogP2.44
TPSA60.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.44
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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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide?
The IUPAC name of 2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide (CID 3070017) is 2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide.
What is the SMILES notation for 2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide?
The canonical SMILES for 2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide is COc1nc(C)ccc1/C(N)=N/c1ccccc1.
What is the InChIKey of 2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide?
The InChIKey is DFHHDWSJQBROEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-10-8-9-12(14(16-10)18-2)13(15)17-11-6-4-3-5-7-11/h3-9H,1-2H3,(H2,15,17).
What are the key properties of 2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide?
2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide has a molecular weight of 241.29 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-methyl-N'-phenylpyridine-3-carboximidamide is sourced from PubChem (CID 3070017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).