N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide

C15H17N3O3 — CID 61228172

IUPACN'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(Oc2ccc(CO)cc2)n1
InChIInChI=1S/C15H17N3O3/c1-9-7-10(2)17-15(13(9)14(16)18-20)21-12-5-3-11(8-19)4-6-12/h3-7,19-20H,8H2,1-2H3,(H2,16,18)
InChIKeyKKXIKTCKBTTXCS-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.08
Rot. Bonds4

About N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide

N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide (PubChem CID 61228172) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
PubChem CID61228172
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC NameN'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
SMILESCc1cc(C)c(C(N)=NO)c(Oc2ccc(CO)cc2)n1
InChIInChI=1S/C15H17N3O3/c1-9-7-10(2)17-15(13(9)14(16)18-20)21-12-5-3-11(8-19)4-6-12/h3-7,19-20H,8H2,1-2H3,(H2,16,18)
InChIKeyKKXIKTCKBTTXCS-UHFFFAOYSA-N
XLogP2.08
TPSA100.96 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.08
H-Bond Donors ≤ 53
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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Related Compounds

N'-hydroxy-4,6-dimethyl-2-(4-methylsulfanylphenoxy)pyridine-3-carboximidamide
CID 77003380
2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide
CID 61229142
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboximidamide
CID 76916322
N'-hydroxy-4,6-dimethyl-2-(3-methylphenoxy)pyridine-3-carboximidamide
CID 61176184
2-(3-bromophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 61176370
N'-hydroxy-2-(3-methoxyphenoxy)-4,6-dimethylpyridine-3-carboximidamide
CID 61175614
2-(4-bromo-3-fluorophenoxy)-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 77059488
2-[4-(2-hydroxyethyl)phenoxy]-4,6-dimethylpyridine-3-carbothioamide
CID 107708866
2-(4-ethylphenoxy)-4,6-dimethylpyridine-3-carbothioamide
CID 61176908
2-(1-ethylpyrazol-4-yl)oxy-N'-hydroxy-4,6-dimethylpyridine-3-carboximidamide
CID 116801421
N'-hydroxy-4,6-dimethyl-2-phenylmethoxypyridine-3-carboximidamide
CID 61177131
2-[4-(hydroxymethyl)phenoxy]-6-methylpyridine-3-carboxamide
CID 79868967

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide?
The IUPAC name of N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide (CID 61228172) is N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide.
What is the SMILES notation for N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide?
The canonical SMILES for N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide is Cc1cc(C)c(C(N)=NO)c(Oc2ccc(CO)cc2)n1.
What is the InChIKey of N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide?
The InChIKey is KKXIKTCKBTTXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-7-10(2)17-15(13(9)14(16)18-20)21-12-5-3-11(8-19)4-6-12/h3-7,19-20H,8H2,1-2H3,(H2,16,18).
What are the key properties of N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide?
N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide has a molecular weight of 287.32 g/mol, XLogP of 2.08, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[4-(hydroxymethyl)phenoxy]-4,6-dimethylpyridine-3-carboximidamide is sourced from PubChem (CID 61228172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).