N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide

C22H29N3O3 — CID 56675837

IUPACN-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide
SMILESCOc1cccc(Oc2ccc(/C(=N/C3CC(C)CC(C)(C)C3)NO)cn2)c1
InChIInChI=1S/C22H29N3O3/c1-15-10-17(13-22(2,3)12-15)24-21(25-26)16-8-9-20(23-14-16)28-19-7-5-6-18(11-19)27-4/h5-9,11,14-15,17,26H,10,12-13H2,1-4H3,(H,24,25)
InChIKeyXIIRYVUMDAAQBP-UHFFFAOYSA-N
MW383.49 g/mol
LogP4.82
Rot. Bonds5

About N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide

N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide (PubChem CID 56675837) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide
PubChem CID56675837
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC NameN-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide
SMILESCOc1cccc(Oc2ccc(/C(=N/C3CC(C)CC(C)(C)C3)NO)cn2)c1
InChIInChI=1S/C22H29N3O3/c1-15-10-17(13-22(2,3)12-15)24-21(25-26)16-8-9-20(23-14-16)28-19-7-5-6-18(11-19)27-4/h5-9,11,14-15,17,26H,10,12-13H2,1-4H3,(H,24,25)
InChIKeyXIIRYVUMDAAQBP-UHFFFAOYSA-N
XLogP4.82
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 54.82
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-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
CID 56682818
6-(3-methoxyphenoxy)pyridine-3-carbothioamide
CID 24697882
6-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]-N-hydroxy-N'-(4-methylcyclohexyl)pyridine-3-carboximidamide
CID 56679540
6-(3-methoxyphenoxy)pyridin-3-amine
CID 806744
N'-cyclopentyl-N-hydroxy-6-(5,6,7,8-tetrahydronaphthalen-1-yloxy)pyridine-3-carboximidamide
CID 56658958
[6-(3-methoxyphenoxy)-3-pyridinyl]boronic acid
CID 74890632
2-(3-bromophenoxy)-5-methoxypyridine
CID 106503836
6-(3-bromophenoxy)-N-(2,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 46458349
6-(3,5-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 43589848
6-(3,3,5-trimethylcyclohexyl)oxypyridine-3-carbothioamide
CID 43128187
1-[[6-(3-methoxyphenoxy)-3-pyridinyl]methyl]-2,3-dimethylguanidine
CID 110916201
6-(3-bromophenoxy)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 55946355

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide (CID 56675837) is N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide is COc1cccc(Oc2ccc(/C(=N/C3CC(C)CC(C)(C)C3)NO)cn2)c1.
What is the InChIKey of N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide?
The InChIKey is XIIRYVUMDAAQBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-15-10-17(13-22(2,3)12-15)24-21(25-26)16-8-9-20(23-14-16)28-19-7-5-6-18(11-19)27-4/h5-9,11,14-15,17,26H,10,12-13H2,1-4H3,(H,24,25).
What are the key properties of N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide?
N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide has a molecular weight of 383.49 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-(3-methoxyphenoxy)-N'-(3,3,5-trimethylcyclohexyl)pyridine-3-carboximidamide is sourced from PubChem (CID 56675837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).