2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide

C16H20N4O — CID 81036309

IUPAC2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCCc2ccncc2)cc(C)nc1C
InChIInChI=1S/C16H20N4O/c1-11-10-14(15(16(17)18)12(2)20-11)21-9-3-4-13-5-7-19-8-6-13/h5-8,10H,3-4,9H2,1-2H3,(H3,17,18)
InChIKeyKHFZSNXWTQNFQO-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.39
Rot. Bonds6

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

2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide (PubChem CID 81036309) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide
PubChem CID81036309
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1c(OCCCc2ccncc2)cc(C)nc1C
InChIInChI=1S/C16H20N4O/c1-11-10-14(15(16(17)18)12(2)20-11)21-9-3-4-13-5-7-19-8-6-13/h5-8,10H,3-4,9H2,1-2H3,(H3,17,18)
InChIKeyKHFZSNXWTQNFQO-UHFFFAOYSA-N
XLogP2.39
TPSA84.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-phenylpropoxy)pyridine-3-carboximidamide
CID 81036918
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
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
5-fluoro-2-(3-pyridin-4-ylpropoxy)benzenecarboximidamide
CID 63668335
[6-methyl-4-(3-pyridin-4-ylpropoxy)-3-pyridinyl]methanamine
CID 81254097
4-(2-chloro-4-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 81051909
4-(5-fluoro-2-methylphenoxy)-2,6-dimethylpyridine-3-carboximidamide
CID 102982075
N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide
CID 136907231

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide?
The IUPAC name of 2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide (CID 81036309) is 2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide.
What is the SMILES notation for 2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide?
The canonical SMILES for 2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide is [H]/N=C(\N)c1c(OCCCc2ccncc2)cc(C)nc1C.
What is the InChIKey of 2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide?
The InChIKey is KHFZSNXWTQNFQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-11-10-14(15(16(17)18)12(2)20-11)21-9-3-4-13-5-7-19-8-6-13/h5-8,10H,3-4,9H2,1-2H3,(H3,17,18).
What are the key properties of 2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide?
2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide has a molecular weight of 284.36 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(3-pyridin-4-ylpropoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 81036309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).