6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide

C15H17N3O — CID 82453003

IUPAC6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(OCC)c2)nc1C
InChIInChI=1S/C15H17N3O/c1-3-19-12-6-4-5-11(9-12)14-8-7-13(15(16)17)10(2)18-14/h4-9H,3H2,1-2H3,(H3,16,17)
InChIKeyMFVDBTGYDXFCDC-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.74
Rot. Bonds4

About 6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide

6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide (PubChem CID 82453003) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide
PubChem CID82453003
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2cccc(OCC)c2)nc1C
InChIInChI=1S/C15H17N3O/c1-3-19-12-6-4-5-11(9-12)14-8-7-13(15(16)17)10(2)18-14/h4-9H,3H2,1-2H3,(H3,16,17)
InChIKeyMFVDBTGYDXFCDC-UHFFFAOYSA-N
XLogP2.74
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.74
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-(3-ethoxyphenyl)-2-methylpyridine-3-carbothioamide
CID 82453002
1-[6-(3-ethoxyphenyl)-2-methyl-3-pyridinyl]ethanone
CID 82453012
6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide
CID 82452729
6-(4-ethoxyphenyl)-2-methylpyridine-3-carbothioamide
CID 82453144
ethyl 6-(4-ethoxyphenyl)-2-methylpyridine-3-carboxylate
CID 115917504
2-methyl-6-(3-propoxyphenyl)pyridin-3-amine
CID 82467694
ethyl 6-(3-fluorophenyl)-2-methylpyridine-3-carboxylate
CID 69039398
ethyl 6-(3-chlorophenyl)-2-methylpyridine-3-carboxylate
CID 112561955
2-ethyl-3-oxo-6-(3-propan-2-yloxyphenyl)pyridazine-4-carboximidamide
CID 82445083
1-[2-(3-ethoxyphenyl)-4-methylpyrimidin-5-yl]ethanone
CID 62771715
ethyl 2-methyl-6-(3-nitrophenyl)pyridine-3-carboxylate
CID 115917495
6-(2,4-dimethylphenyl)-2-methylpyridine-3-carboximidamide
CID 82452571

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide?
The IUPAC name of 6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide (CID 82453003) is 6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide.
What is the SMILES notation for 6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide?
The canonical SMILES for 6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2cccc(OCC)c2)nc1C.
What is the InChIKey of 6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide?
The InChIKey is MFVDBTGYDXFCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-3-19-12-6-4-5-11(9-12)14-8-7-13(15(16)17)10(2)18-14/h4-9H,3H2,1-2H3,(H3,16,17).
What are the key properties of 6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide?
6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide has a molecular weight of 255.32 g/mol, XLogP of 2.74, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide is sourced from PubChem (CID 82453003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).