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

C28H30N6O2 — CID 60609646

IUPAC2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide
SMILESCc1cc(C)n(-c2ccc(/C(N)=N/OCC(=O)NCCC(c3ccccc3)c3ccccc3)cn2)n1
InChIInChI=1S/C28H30N6O2/c1-20-17-21(2)34(32-20)26-14-13-24(18-31-26)28(29)33-36-19-27(35)30-16-15-25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,17-18,25H,15-16,19H2,1-2H3,(H2,29,33)(H,30,35)
InChIKeyCIFNZTXWVHYONP-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.86
Rot. Bonds10

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

2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide (PubChem CID 60609646) has the molecular formula C28H30N6O2 and a molecular weight of 482.59 g/mol. Its IUPAC name is 2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide.

Molecular Properties

Compound Name2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide
PubChem CID60609646
Molecular FormulaC28H30N6O2
Molecular Weight482.59 g/mol
Exact Mass482.24
IUPAC Name2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide
SMILESCc1cc(C)n(-c2ccc(/C(N)=N/OCC(=O)NCCC(c3ccccc3)c3ccccc3)cn2)n1
InChIInChI=1S/C28H30N6O2/c1-20-17-21(2)34(32-20)26-14-13-24(18-31-26)28(29)33-36-19-27(35)30-16-15-25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,17-18,25H,15-16,19H2,1-2H3,(H2,29,33)(H,30,35)
InChIKeyCIFNZTXWVHYONP-UHFFFAOYSA-N
XLogP3.86
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.86
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide?
The IUPAC name of 2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide (CID 60609646) is 2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide.
What is the SMILES notation for 2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide?
The canonical SMILES for 2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide is Cc1cc(C)n(-c2ccc(/C(N)=N/OCC(=O)NCCC(c3ccccc3)c3ccccc3)cn2)n1.
What is the InChIKey of 2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide?
The InChIKey is CIFNZTXWVHYONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N6O2/c1-20-17-21(2)34(32-20)26-14-13-24(18-31-26)28(29)33-36-19-27(35)30-16-15-25(22-9-5-3-6-10-22)23-11-7-4-8-12-23/h3-14,17-18,25H,15-16,19H2,1-2H3,(H2,29,33)(H,30,35).
What are the key properties of 2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide?
2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide has a molecular weight of 482.59 g/mol, XLogP of 3.86, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide is sourced from PubChem (CID 60609646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).