N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C20H21N7O3 — CID 122293086

IUPACN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)n(-c2ccc(NCCNC(=O)Cn3c(=O)oc4ccccc43)nn2)n1
InChIInChI=1S/C20H21N7O3/c1-13-11-14(2)27(25-13)18-8-7-17(23-24-18)21-9-10-22-19(28)12-26-15-5-3-4-6-16(15)30-20(26)29/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,28)
InChIKeyPUBUCIOTIZTSEU-UHFFFAOYSA-N
MW407.43 g/mol
LogP1.42
Rot. Bonds7

About N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 122293086) has the molecular formula C20H21N7O3 and a molecular weight of 407.43 g/mol. Its IUPAC name is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID122293086
Molecular FormulaC20H21N7O3
Molecular Weight407.43 g/mol
Exact Mass407.17
IUPAC NameN-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESCc1cc(C)n(-c2ccc(NCCNC(=O)Cn3c(=O)oc4ccccc43)nn2)n1
InChIInChI=1S/C20H21N7O3/c1-13-11-14(2)27(25-13)18-8-7-17(23-24-18)21-9-10-22-19(28)12-26-15-5-3-4-6-16(15)30-20(26)29/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,28)
InChIKeyPUBUCIOTIZTSEU-UHFFFAOYSA-N
XLogP1.42
TPSA119.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.43
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122293156
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(1,2,4-triazol-1-yl)acetamide
CID 122293159
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-fluorobenzamide
CID 16654494
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]quinoline-2-carboxamide
CID 122293049
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]furan-3-carboxamide
CID 122293107
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-3,4-dimethylbenzamide
CID 16654487
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyridine-4-carboxamide
CID 122292993
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 122293045
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]quinoxaline-2-carboxamide
CID 122293087
1-(3,5-dimethylphenyl)-3-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]urea
CID 16654464
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042

Frequently Asked Questions

What is the IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 122293086) is N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is Cc1cc(C)n(-c2ccc(NCCNC(=O)Cn3c(=O)oc4ccccc43)nn2)n1.
What is the InChIKey of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is PUBUCIOTIZTSEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N7O3/c1-13-11-14(2)27(25-13)18-8-7-17(23-24-18)21-9-10-22-19(28)12-26-15-5-3-4-6-16(15)30-20(26)29/h3-8,11H,9-10,12H2,1-2H3,(H,21,23)(H,22,28).
What are the key properties of N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 407.43 g/mol, XLogP of 1.42, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 122293086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).