4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide

C15H16ClN3O — CID 81052445

IUPAC4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(OCc2ccc(Cl)cc2)cc(C)nc1C
InChIInChI=1S/C15H16ClN3O/c1-9-7-13(14(15(17)18)10(2)19-9)20-8-11-3-5-12(16)6-4-11/h3-7H,8H2,1-2H3,(H3,17,18)
InChIKeyHFTRHQCLVLHVNP-UHFFFAOYSA-N
MW289.77 g/mol
LogP3.21
Rot. Bonds4

About 4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide

4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide (PubChem CID 81052445) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide
PubChem CID81052445
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(OCc2ccc(Cl)cc2)cc(C)nc1C
InChIInChI=1S/C15H16ClN3O/c1-9-7-13(14(15(17)18)10(2)19-9)20-8-11-3-5-12(16)6-4-11/h3-7H,8H2,1-2H3,(H3,17,18)
InChIKeyHFTRHQCLVLHVNP-UHFFFAOYSA-N
XLogP3.21
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 53.21
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

4-chloro-2-[(4-chlorophenyl)methoxy]benzenecarboximidamide
CID 65126032
2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide
CID 81036918
4-methoxy-2,6-dimethylpyridine-3-carboximidamide
CID 81052054
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide
CID 81036309
2,6-dimethyl-4-(4-methylpentoxy)pyridine-3-carboximidamide
CID 81051981
4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81051909
4-[(4-chlorophenyl)methoxy]-3-methoxybenzenecarboximidamide;hydrochloride
CID 82240843
4-chloro-2-[(4-propan-2-ylphenyl)methoxy]benzenecarboximidamide
CID 114323549
2-chloro-6-[(3,4-dichlorophenyl)methoxy]benzenecarboximidamide
CID 114323483
2-[(4-methoxyphenyl)methoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61176359
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
CID 81053468
4-[(4-chlorophenyl)methoxy]pyridine-2-carboximidamide
CID 65126654

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of 4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide (CID 81052445) is 4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for 4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide is [H]/N=C(\N)c1c(OCc2ccc(Cl)cc2)cc(C)nc1C.
What is the InChIKey of 4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide?
The InChIKey is HFTRHQCLVLHVNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c1-9-7-13(14(15(17)18)10(2)19-9)20-8-11-3-5-12(16)6-4-11/h3-7H,8H2,1-2H3,(H3,17,18).
What are the key properties of 4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide?
4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide has a molecular weight of 289.77 g/mol, XLogP of 3.21, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 81052445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).