6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide

C20H23N5O2 — CID 126812366

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide
SMILESCOc1ccc(C)cc1CON=C(N)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C20H23N5O2/c1-13-5-7-18(26-4)17(9-13)12-27-24-20(21)16-6-8-19(22-11-16)25-15(3)10-14(2)23-25/h5-11H,12H2,1-4H3,(H2,21,24)
InChIKeyALLPTXWOBKKTRO-UHFFFAOYSA-N
MW365.44 g/mol
LogP3.04
Rot. Bonds6

About 6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide

6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide (PubChem CID 126812366) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide
PubChem CID126812366
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide
SMILESCOc1ccc(C)cc1CON=C(N)c1ccc(-n2nc(C)cc2C)nc1
InChIInChI=1S/C20H23N5O2/c1-13-5-7-18(26-4)17(9-13)12-27-24-20(21)16-6-8-19(22-11-16)25-15(3)10-14(2)23-25/h5-11H,12H2,1-4H3,(H2,21,24)
InChIKeyALLPTXWOBKKTRO-UHFFFAOYSA-N
XLogP3.04
TPSA87.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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'-[(2-methoxy-5-methylphenyl)methoxy]-6-piperidin-1-ylpyridine-3-carboximidamide
CID 52763454
N'-[(2-chlorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
CID 52527082
methyl 5-[[(E)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxymethyl]furan-2-carboxylate
CID 60609575
N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
CID 52530546
6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide
CID 60604264
6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(5-methyl-1,3,4-oxadiazol-2-yl)propoxy]pyridine-3-carboximidamide
CID 75397025
2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide
CID 75264712
2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide
CID 60609646
N-[(2,4-dimethoxyphenyl)methyl]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxamide
CID 71896744
(4-methoxycarbonylphenyl)methyl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704944
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]guanidine
CID 111053221
6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide;dihydrochloride
CID 47002494

Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide (CID 126812366) is 6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide is COc1ccc(C)cc1CON=C(N)c1ccc(-n2nc(C)cc2C)nc1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide?
The InChIKey is ALLPTXWOBKKTRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-13-5-7-18(26-4)17(9-13)12-27-24-20(21)16-6-8-19(22-11-16)25-15(3)10-14(2)23-25/h5-11H,12H2,1-4H3,(H2,21,24).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide?
6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide has a molecular weight of 365.44 g/mol, XLogP of 3.04, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide is sourced from PubChem (CID 126812366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).