N'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide

C20H26N4O2 — CID 56669355

IUPACN'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/CC2CCCCC2)NO)c(OCc2ccccn2)n1
InChIInChI=1S/C20H26N4O2/c1-15-10-11-18(19(24-25)22-13-16-7-3-2-4-8-16)20(23-15)26-14-17-9-5-6-12-21-17/h5-6,9-12,16,25H,2-4,7-8,13-14H2,1H3,(H,22,24)
InChIKeyWUJZMFXUMXOSKE-UHFFFAOYSA-N
MW354.45 g/mol
LogP3.67
Rot. Bonds6

About N'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide

N'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide (PubChem CID 56669355) has the molecular formula C20H26N4O2 and a molecular weight of 354.45 g/mol. Its IUPAC name is N'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
PubChem CID56669355
Molecular FormulaC20H26N4O2
Molecular Weight354.45 g/mol
Exact Mass354.21
IUPAC NameN'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/CC2CCCCC2)NO)c(OCc2ccccn2)n1
InChIInChI=1S/C20H26N4O2/c1-15-10-11-18(19(24-25)22-13-16-7-3-2-4-8-16)20(23-15)26-14-17-9-5-6-12-21-17/h5-6,9-12,16,25H,2-4,7-8,13-14H2,1H3,(H,22,24)
InChIKeyWUJZMFXUMXOSKE-UHFFFAOYSA-N
XLogP3.67
TPSA79.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 53.67
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'-(cyclohexylmethyl)-N-hydroxy-2-(4-methoxyphenoxy)-6-methylpyridine-3-carboximidamide
CID 56658619
2-[(2-fluorophenyl)methoxy]-N-hydroxy-N'-[(2-methoxyphenyl)methyl]-6-methylpyridine-3-carboximidamide
CID 56672502
2-(cyclooctylmethyl)-1-(2-pyridin-2-ylethyl)guanidine
CID 111075397
6-methyl-2-(2-pyridin-2-ylethoxy)pyridine-3-carboxylic acid
CID 62701733
2-(cyclohexylmethyl)pyridine
CID 14762660
(2S)-1-(cyclohexylmethylamino)-3-pyridin-2-ylpropan-2-ol
CID 70411130
2-cyclohexyl-N-[3-(pyridin-2-ylmethoxy)phenyl]acetamide
CID 38671683
2-methyl-6-(pyridin-2-ylmethoxy)pyridine
CID 86815736
N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56665012
N-(cyclopentylmethyl)-N'-methyl-N'-(2-pyridin-2-ylethyl)ethane-1,2-diamine
CID 62573237
N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 56665276
2-[(3-ethylcyclobutyl)oxymethyl]pyridine
CID 170582773

Frequently Asked Questions

What is the IUPAC name of N'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide (CID 56669355) is N'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide is Cc1ccc(/C(=N/CC2CCCCC2)NO)c(OCc2ccccn2)n1.
What is the InChIKey of N'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
The InChIKey is WUJZMFXUMXOSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2/c1-15-10-11-18(19(24-25)22-13-16-7-3-2-4-8-16)20(23-15)26-14-17-9-5-6-12-21-17/h5-6,9-12,16,25H,2-4,7-8,13-14H2,1H3,(H,22,24).
What are the key properties of N'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide?
N'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide has a molecular weight of 354.45 g/mol, XLogP of 3.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohexylmethyl)-N-hydroxy-6-methyl-2-(pyridin-2-ylmethoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56669355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).