2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide

C17H21N3O — CID 81036918

IUPAC2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCCc2ccccc2)cc(C)nc1C
InChIInChI=1S/C17H21N3O/c1-12-11-15(16(17(18)19)13(2)20-12)21-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H3,18,19)
InChIKeyHCABQXRCMOUFFH-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.99
Rot. Bonds6

About 2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide

2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide (PubChem CID 81036918) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide
PubChem CID81036918
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCCc2ccccc2)cc(C)nc1C
InChIInChI=1S/C17H21N3O/c1-12-11-15(16(17(18)19)13(2)20-12)21-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H3,18,19)
InChIKeyHCABQXRCMOUFFH-UHFFFAOYSA-N
XLogP2.99
TPSA71.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

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-[(4-chlorophenyl)methoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81052445
4-methoxy-2,6-dimethylpyridine-3-carboximidamide
CID 81052054
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carbothioamide
CID 81037735
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboxylic acid
CID 81037807
4-methyl-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 62308690
4-[3-(dimethylamino)phenoxy]-2,6-dimethylpyridine-3-carboximidamide
CID 81036917
2,6-dimethyl-4-phenylmethoxypyridine-3-carboxylic acid
CID 81053468
4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81051909
4,6-dimethyl-2-(2-phenoxyethoxy)pyridine-3-carboximidamide
CID 61175204
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 102982075

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide?
The IUPAC name of 2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide (CID 81036918) is 2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide?
The canonical SMILES for 2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1c(OCCCc2ccccc2)cc(C)nc1C.
What is the InChIKey of 2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide?
The InChIKey is HCABQXRCMOUFFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-11-15(16(17(18)19)13(2)20-12)21-10-6-9-14-7-4-3-5-8-14/h3-5,7-8,11H,6,9-10H2,1-2H3,(H3,18,19).
What are the key properties of 2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide?
2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide has a molecular weight of 283.38 g/mol, XLogP of 2.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 81036918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).