N-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide

C23H25N3O2 — CID 56658624

IUPACN-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide
SMILESCN(/C(=N\O)c1ccc(Oc2cccc3ccccc23)nc1)C1CCCCC1
InChIInChI=1S/C23H25N3O2/c1-26(19-10-3-2-4-11-19)23(25-27)18-14-15-22(24-16-18)28-21-13-7-9-17-8-5-6-12-20(17)21/h5-9,12-16,19,27H,2-4,10-11H2,1H3/b25-23-
InChIKeyLEVUYAOYEKHOPR-BZZOAKBMSA-N
MW375.47 g/mol
LogP5.43
Rot. Bonds4

About N-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide

N-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide (PubChem CID 56658624) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide.

Molecular Properties

Compound NameN-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide
PubChem CID56658624
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide
SMILESCN(/C(=N\O)c1ccc(Oc2cccc3ccccc23)nc1)C1CCCCC1
InChIInChI=1S/C23H25N3O2/c1-26(19-10-3-2-4-11-19)23(25-27)18-14-15-22(24-16-18)28-21-13-7-9-17-8-5-6-12-20(17)21/h5-9,12-16,19,27H,2-4,10-11H2,1H3/b25-23-
InChIKeyLEVUYAOYEKHOPR-BZZOAKBMSA-N
XLogP5.43
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide?
The IUPAC name of N-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide (CID 56658624) is N-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide.
What is the SMILES notation for N-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide?
The canonical SMILES for N-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide is CN(/C(=N\O)c1ccc(Oc2cccc3ccccc23)nc1)C1CCCCC1.
What is the InChIKey of N-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide?
The InChIKey is LEVUYAOYEKHOPR-BZZOAKBMSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-26(19-10-3-2-4-11-19)23(25-27)18-14-15-22(24-16-18)28-21-13-7-9-17-8-5-6-12-20(17)21/h5-9,12-16,19,27H,2-4,10-11H2,1H3/b25-23-.
What are the key properties of N-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide?
N-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide has a molecular weight of 375.47 g/mol, XLogP of 5.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N'-hydroxy-N-methyl-6-naphthalen-1-yloxypyridine-3-carboximidamide is sourced from PubChem (CID 56658624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).