N'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide

C19H21F2N3O2 — CID 44554956

IUPACN'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/C2CCCCC2)NO)c(Oc2c(F)cccc2F)n1
InChIInChI=1S/C19H21F2N3O2/c1-12-10-11-14(18(24-25)23-13-6-3-2-4-7-13)19(22-12)26-17-15(20)8-5-9-16(17)21/h5,8-11,13,25H,2-4,6-7H2,1H3,(H,23,24)
InChIKeySSJAZVWNFPVNLB-UHFFFAOYSA-N
MW361.39 g/mol
LogP4.52
Rot. Bonds4

About N'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide

N'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide (PubChem CID 44554956) has the molecular formula C19H21F2N3O2 and a molecular weight of 361.39 g/mol. Its IUPAC name is N'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
PubChem CID44554956
Molecular FormulaC19H21F2N3O2
Molecular Weight361.39 g/mol
Exact Mass361.16
IUPAC NameN'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide
SMILESCc1ccc(/C(=N/C2CCCCC2)NO)c(Oc2c(F)cccc2F)n1
InChIInChI=1S/C19H21F2N3O2/c1-12-10-11-14(18(24-25)23-13-6-3-2-4-7-13)19(22-12)26-17-15(20)8-5-9-16(17)21/h5,8-11,13,25H,2-4,6-7H2,1H3,(H,23,24)
InChIKeySSJAZVWNFPVNLB-UHFFFAOYSA-N
XLogP4.52
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.39
LogP ≤ 54.52
H-Bond Donors ≤ 52
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide?
The IUPAC name of N'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide (CID 44554956) is N'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide.
What is the SMILES notation for N'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide?
The canonical SMILES for N'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide is Cc1ccc(/C(=N/C2CCCCC2)NO)c(Oc2c(F)cccc2F)n1.
What is the InChIKey of N'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide?
The InChIKey is SSJAZVWNFPVNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21F2N3O2/c1-12-10-11-14(18(24-25)23-13-6-3-2-4-7-13)19(22-12)26-17-15(20)8-5-9-16(17)21/h5,8-11,13,25H,2-4,6-7H2,1H3,(H,23,24).
What are the key properties of N'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide?
N'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide has a molecular weight of 361.39 g/mol, XLogP of 4.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-2-(2,6-difluorophenoxy)-N-hydroxy-6-methylpyridine-3-carboximidamide is sourced from PubChem (CID 44554956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).