N'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide

C20H27N3O3 — CID 56669149

IUPACN'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide
SMILESCOCCN(/C(=N\O)c1ccc(C)nc1OCc1ccccc1)C(C)C
InChIInChI=1S/C20H27N3O3/c1-15(2)23(12-13-25-4)19(22-24)18-11-10-16(3)21-20(18)26-14-17-8-6-5-7-9-17/h5-11,15,24H,12-14H2,1-4H3/b22-19-
InChIKeyCAKHURRRQHLAFJ-QOCHGBHMSA-N
MW357.45 g/mol
LogP3.46
Rot. Bonds8

About N'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide

N'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide (PubChem CID 56669149) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is N'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide
PubChem CID56669149
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC NameN'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide
SMILESCOCCN(/C(=N\O)c1ccc(C)nc1OCc1ccccc1)C(C)C
InChIInChI=1S/C20H27N3O3/c1-15(2)23(12-13-25-4)19(22-24)18-11-10-16(3)21-20(18)26-14-17-8-6-5-7-9-17/h5-11,15,24H,12-14H2,1-4H3/b22-19-
InChIKeyCAKHURRRQHLAFJ-QOCHGBHMSA-N
XLogP3.46
TPSA67.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 53.46
H-Bond Donors ≤ 51
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': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide (CID 56669149) is N'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide is COCCN(/C(=N\O)c1ccc(C)nc1OCc1ccccc1)C(C)C.
What is the InChIKey of N'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide?
The InChIKey is CAKHURRRQHLAFJ-QOCHGBHMSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-15(2)23(12-13-25-4)19(22-24)18-11-10-16(3)21-20(18)26-14-17-8-6-5-7-9-17/h5-11,15,24H,12-14H2,1-4H3/b22-19-.
What are the key properties of N'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide?
N'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide has a molecular weight of 357.45 g/mol, XLogP of 3.46, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-N-(2-methoxyethyl)-6-methyl-2-phenylmethoxy-N-propan-2-ylpyridine-3-carboximidamide is sourced from PubChem (CID 56669149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).