N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide

C16H19N3O2 — CID 137013796

IUPACN'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(OCCCc2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-12-10-14(16(17)19-20)11-15(18-12)21-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,20H,5,8-9H2,1H3,(H2,17,19)
InChIKeyXUPKAKDQVAQNSQ-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.50
Rot. Bonds6

About N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide

N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide (PubChem CID 137013796) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide
PubChem CID137013796
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC NameN'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide
SMILESCc1cc(/C(N)=N/O)cc(OCCCc2ccccc2)n1
InChIInChI=1S/C16H19N3O2/c1-12-10-14(16(17)19-20)11-15(18-12)21-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,20H,5,8-9H2,1H3,(H2,17,19)
InChIKeyXUPKAKDQVAQNSQ-UHFFFAOYSA-N
XLogP2.50
TPSA80.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.50
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'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-methyl-6-(1-phenylethoxy)pyridine-4-carboximidamide
CID 137013719
2-[(2-bromophenyl)methoxy]-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013848
N'-hydroxy-2-[4-(2-hydroxyethyl)phenoxy]-6-methylpyridine-4-carboximidamide
CID 136865767
N'-hydroxy-6-methyl-2-(3-pyridin-4-ylpropoxy)pyrimidine-4-carboximidamide
CID 136907231
2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 136794793
2-(2,4-dimethylphenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013736
2-methyl-6-(2-pyridin-2-ylethoxy)pyridine-4-carbothioamide
CID 114768153
2-methyl-6-(2-phenylethoxy)-4-(trifluoromethyl)pyridine
CID 23380586
2-bromo-N'-hydroxy-4-(3-phenylpropoxy)benzenecarboximidamide
CID 107278992
N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
CID 61177131
2,6-dimethyl-4-(3-phenylpropoxy)pyridine-3-carboximidamide
CID 81036918
2-(2,4-dibromophenoxy)-N'-hydroxy-6-methylpyridine-4-carboximidamide
CID 137013821

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide?
The IUPAC name of N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide (CID 137013796) is N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide?
The canonical SMILES for N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide is Cc1cc(/C(N)=N/O)cc(OCCCc2ccccc2)n1.
What is the InChIKey of N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide?
The InChIKey is XUPKAKDQVAQNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-12-10-14(16(17)19-20)11-15(18-12)21-9-5-8-13-6-3-2-4-7-13/h2-4,6-7,10-11,20H,5,8-9H2,1H3,(H2,17,19).
What are the key properties of N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide?
N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide has a molecular weight of 285.35 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-methyl-6-(3-phenylpropoxy)pyridine-4-carboximidamide is sourced from PubChem (CID 137013796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).