N-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide

C19H25N3O3 — CID 56679500

IUPACN-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
SMILESCOc1cccc(C/N=C(\NO)c2ccc(C)nc2OCC(C)C)c1
InChIInChI=1S/C19H25N3O3/c1-13(2)12-25-19-17(9-8-14(3)21-19)18(22-23)20-11-15-6-5-7-16(10-15)24-4/h5-10,13,23H,11-12H2,1-4H3,(H,20,22)
InChIKeyMXLLYPCCDXHKPM-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.36
Rot. Bonds7

About N-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide

N-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide (PubChem CID 56679500) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
PubChem CID56679500
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide
SMILESCOc1cccc(C/N=C(\NO)c2ccc(C)nc2OCC(C)C)c1
InChIInChI=1S/C19H25N3O3/c1-13(2)12-25-19-17(9-8-14(3)21-19)18(22-23)20-11-15-6-5-7-16(10-15)24-4/h5-10,13,23H,11-12H2,1-4H3,(H,20,22)
InChIKeyMXLLYPCCDXHKPM-UHFFFAOYSA-N
XLogP3.36
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-benzyl-N-hydroxy-6-methyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 56662107
1,1,3,3-tetramethyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111082165
1-ethyl-2-[(3-methoxyphenyl)methyl]-3-(2-methylpropyl)guanidine
CID 111180513
N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
CID 56682818
1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 111082129
1-(2-methoxyphenyl)-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide
CID 111082128
1-ethyl-3-[2-hydroxy-3-(2-methylpropoxy)propyl]-2-[(3-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111249504
3-methoxy-N-[[3-(2-methylpropoxy)phenyl]methyl]aniline
CID 39386919
2-[[3-(2-methylpropoxy)phenyl]methyl]-1-propylguanidine;hydroiodide
CID 111082142
1-ethyl-2-[[3-(2-methylpropoxy)phenyl]methyl]-3-(2-methylsulfanylethyl)guanidine
CID 111345295
1-(3-methoxyphenyl)-N-[(6-methyl-2-pyridinyl)methyl]methanamine
CID 60962176
1-cyclopropyl-2-[[3-(2-methylpropoxy)phenyl]methyl]guanidine;hydroiodide
CID 110918465

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide (CID 56679500) is N-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide is COc1cccc(C/N=C(\NO)c2ccc(C)nc2OCC(C)C)c1.
What is the InChIKey of N-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide?
The InChIKey is MXLLYPCCDXHKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-13(2)12-25-19-17(9-8-14(3)21-19)18(22-23)20-11-15-6-5-7-16(10-15)24-4/h5-10,13,23H,11-12H2,1-4H3,(H,20,22).
What are the key properties of N-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide?
N-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide has a molecular weight of 343.43 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[(3-methoxyphenyl)methyl]-6-methyl-2-(2-methylpropoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56679500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).