2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide

C19H19IN6O2 — CID 75264712

IUPAC2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide
SMILESCc1cc(C)n(-c2ccc(C(N)=NOCC(=O)Nc3cccc(I)c3)cn2)n1
InChIInChI=1S/C19H19IN6O2/c1-12-8-13(2)26(24-12)17-7-6-14(10-22-17)19(21)25-28-11-18(27)23-16-5-3-4-15(20)9-16/h3-10H,11H2,1-2H3,(H2,21,25)(H,23,27)
InChIKeyPIVDZIHZVXGXJX-UHFFFAOYSA-N
MW490.31 g/mol
LogP2.76
Rot. Bonds6

About 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide

2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide (PubChem CID 75264712) has the molecular formula C19H19IN6O2 and a molecular weight of 490.31 g/mol. Its IUPAC name is 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide.

Molecular Properties

Compound Name2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide
PubChem CID75264712
Molecular FormulaC19H19IN6O2
Molecular Weight490.31 g/mol
Exact Mass490.06
IUPAC Name2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide
SMILESCc1cc(C)n(-c2ccc(C(N)=NOCC(=O)Nc3cccc(I)c3)cn2)n1
InChIInChI=1S/C19H19IN6O2/c1-12-8-13(2)26(24-12)17-7-6-14(10-22-17)19(21)25-28-11-18(27)23-16-5-3-4-15(20)9-16/h3-10H,11H2,1-2H3,(H2,21,25)(H,23,27)
InChIKeyPIVDZIHZVXGXJX-UHFFFAOYSA-N
XLogP2.76
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.31
LogP ≤ 52.76
H-Bond Donors ≤ 52
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide
CID 60609646
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
2-[[4-amino-5-(3,5-dimethylpyrazol-1-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(3-iodophenyl)acetamide
CID 55426635
N'-[(2-chloro-6-fluorophenyl)methoxy]-6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboximidamide
CID 52530546
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55645010
2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide
CID 72692107
[2-[[2-(4,6-dimethylpyrimidin-2-yl)-5-methylpyrazol-3-yl]amino]-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55704157
[2-(3-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 46428263
6-(3,5-dimethylpyrazol-1-yl)-N'-[3-(4-fluorophenoxy)propoxy]pyridine-3-carboximidamide
CID 60604264
6-(3,5-dimethylpyrazol-1-yl)-N'-[(2-methoxy-5-methylphenyl)methoxy]pyridine-3-carboximidamide
CID 126812366
[2-[(2-chloro-3-pyridinyl)amino]-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55703842

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide?
The IUPAC name of 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide (CID 75264712) is 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide.
What is the SMILES notation for 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide?
The canonical SMILES for 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide is Cc1cc(C)n(-c2ccc(C(N)=NOCC(=O)Nc3cccc(I)c3)cn2)n1.
What is the InChIKey of 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide?
The InChIKey is PIVDZIHZVXGXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19IN6O2/c1-12-8-13(2)26(24-12)17-7-6-14(10-22-17)19(21)25-28-11-18(27)23-16-5-3-4-15(20)9-16/h3-10H,11H2,1-2H3,(H2,21,25)(H,23,27).
What are the key properties of 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide?
2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide has a molecular weight of 490.31 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide is sourced from PubChem (CID 75264712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).