N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide

C24H27N3O3 — CID 56678921

IUPACN-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide
SMILESCOc1ccc(C/N=C(\NO)c2ccc(Oc3cc(C)cc(C(C)C)c3)nc2)cc1
InChIInChI=1S/C24H27N3O3/c1-16(2)20-11-17(3)12-22(13-20)30-23-10-7-19(15-25-23)24(27-28)26-14-18-5-8-21(29-4)9-6-18/h5-13,15-16,28H,14H2,1-4H3,(H,26,27)
InChIKeyDOLFWJXKXNDFRN-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.24
Rot. Bonds7

About N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide

N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide (PubChem CID 56678921) has the molecular formula C24H27N3O3 and a molecular weight of 405.50 g/mol. Its IUPAC name is N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide.

Molecular Properties

Compound NameN-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide
PubChem CID56678921
Molecular FormulaC24H27N3O3
Molecular Weight405.50 g/mol
Exact Mass405.21
IUPAC NameN-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide
SMILESCOc1ccc(C/N=C(\NO)c2ccc(Oc3cc(C)cc(C(C)C)c3)nc2)cc1
InChIInChI=1S/C24H27N3O3/c1-16(2)20-11-17(3)12-22(13-20)30-23-10-7-19(15-25-23)24(27-28)26-14-18-5-8-21(29-4)9-6-18/h5-13,15-16,28H,14H2,1-4H3,(H,26,27)
InChIKeyDOLFWJXKXNDFRN-UHFFFAOYSA-N
XLogP5.24
TPSA75.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.24
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-N'-(2-methoxyethyl)-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide
CID 56682141
N-hydroxy-6-(3-methoxyphenoxy)-N'-[(4-methoxyphenyl)methyl]pyridine-3-carboximidamide
CID 56682818
6-(3,5-dimethylphenoxy)-N'-[(2-ethoxyphenyl)methyl]-N-hydroxypyridine-3-carboximidamide
CID 56669236
N'-[(3,5-dimethylphenyl)methyl]-N-hydroxy-6-(4-imidazol-1-ylphenoxy)pyridine-3-carboximidamide
CID 56675746
6-dibenzofuran-2-yloxy-N-hydroxy-N'-[(5-methylfuran-2-yl)methyl]pyridine-3-carboximidamide
CID 56665436
N-hydroxy-N'-(pyridin-4-ylmethyl)-6-(2,3,5,6-tetrafluorophenoxy)pyridine-3-carboximidamide
CID 56668982
(NZ)-N-[[6-(3-methyl-5-propan-2-ylphenoxy)-3-pyridinyl]-(2-methylpyrrolidin-1-yl)methylidene]hydroxylamine
CID 56669250
5-(methoxymethyl)-2-(4-methoxyphenoxy)pyridine
CID 143812983
6-[4-[[(4-methoxyphenyl)methylamino]methyl]phenoxy]pyridine-3-carboxamide
CID 68745018
6-[[2-[[2-methyl-3-(4-propan-2-ylphenyl)propyl]amino]-2,3-dihydro-1H-inden-5-yl]oxy]pyridine-3-carboxamide
CID 69344197
ethyl 6-(4-propan-2-ylphenoxy)pyridine-3-carboxylate
CID 23148939
5-(chloromethyl)-2-(3,5-dimethylphenoxy)pyridine
CID 61270098

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The IUPAC name of N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide (CID 56678921) is N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide.
What is the SMILES notation for N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The canonical SMILES for N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide is COc1ccc(C/N=C(\NO)c2ccc(Oc3cc(C)cc(C(C)C)c3)nc2)cc1.
What is the InChIKey of N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide?
The InChIKey is DOLFWJXKXNDFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3/c1-16(2)20-11-17(3)12-22(13-20)30-23-10-7-19(15-25-23)24(27-28)26-14-18-5-8-21(29-4)9-6-18/h5-13,15-16,28H,14H2,1-4H3,(H,26,27).
What are the key properties of N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide?
N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide has a molecular weight of 405.50 g/mol, XLogP of 5.24, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-N'-[(4-methoxyphenyl)methyl]-6-(3-methyl-5-propan-2-ylphenoxy)pyridine-3-carboximidamide is sourced from PubChem (CID 56678921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).