N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide

C18H21N3O3 — CID 56665276

IUPACN'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
SMILESCOc1ccccc1Oc1ncccc1/C(=N/C1CCCC1)NO
InChIInChI=1S/C18H21N3O3/c1-23-15-10-4-5-11-16(15)24-18-14(9-6-12-19-18)17(21-22)20-13-7-2-3-8-13/h4-6,9-13,22H,2-3,7-8H2,1H3,(H,20,21)
InChIKeyISRUYNNLVIXMMA-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.55
Rot. Bonds5

About N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide

N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide (PubChem CID 56665276) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
PubChem CID56665276
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC NameN'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
SMILESCOc1ccccc1Oc1ncccc1/C(=N/C1CCCC1)NO
InChIInChI=1S/C18H21N3O3/c1-23-15-10-4-5-11-16(15)24-18-14(9-6-12-19-18)17(21-22)20-13-7-2-3-8-13/h4-6,9-13,22H,2-3,7-8H2,1H3,(H,20,21)
InChIKeyISRUYNNLVIXMMA-UHFFFAOYSA-N
XLogP3.55
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.55
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-2-(2-methoxyphenoxy)pyridine-3-carboximidamide
CID 24711030
2-(2-methoxyphenoxy)pyridine-3-carbothioamide
CID 24702703
N-hydroxy-N'-(1-methoxypropan-2-yl)-2-(2-propan-2-yloxyphenoxy)pyridine-3-carboximidamide
CID 56658086
N-amino-N'-cyclopentyl-2,6-dimethoxybenzenecarboximidamide
CID 61362135
3-bromo-2-(2-methoxyphenoxy)pyridine
CID 61375067
(NZ)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]-thiomorpholin-4-ylmethylidene]hydroxylamine
CID 56669742
N-amino-N'-cycloheptyl-2-ethoxybenzenecarboximidamide
CID 61362756
N'-cyclopentyl-2-(3-fluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
CID 56665012
2-(2-chlorophenoxy)-N-cyclohexylpyridine-3-carboxamide
CID 56661736
N'-(4-acetylphenyl)-N-hydroxy-2-(2-phenylmethoxyphenoxy)pyridine-3-carboximidamide
CID 56679484
(1S)-1-[2-(2-methoxyphenoxy)-3-pyridinyl]ethanamine
CID 114056631
2-(4-amino-2-methoxyphenoxy)pyridine-3-carboxamide
CID 62111132

Frequently Asked Questions

What is the IUPAC name of N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide (CID 56665276) is N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide is COc1ccccc1Oc1ncccc1/C(=N/C1CCCC1)NO.
What is the InChIKey of N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide?
The InChIKey is ISRUYNNLVIXMMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-23-15-10-4-5-11-16(15)24-18-14(9-6-12-19-18)17(21-22)20-13-7-2-3-8-13/h4-6,9-13,22H,2-3,7-8H2,1H3,(H,20,21).
What are the key properties of N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide?
N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide has a molecular weight of 327.38 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopentyl-N-hydroxy-2-(2-methoxyphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56665276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).