2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide

C24H30N6O2 — CID 72692107

IUPAC2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide
SMILESCc1cc(C)n(-c2ccc(C(N)=NOC(C)C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)n1
InChIInChI=1S/C24H30N6O2/c1-15-13-16(2)30(28-15)21-12-7-18(14-26-21)22(25)29-32-17(3)23(31)27-20-10-8-19(9-11-20)24(4,5)6/h7-14,17H,1-6H3,(H2,25,29)(H,27,31)
InChIKeyLAGWOPQCUYFHEI-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.85
Rot. Bonds6

About 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide

2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide (PubChem CID 72692107) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide.

Molecular Properties

Compound Name2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide
PubChem CID72692107
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide
SMILESCc1cc(C)n(-c2ccc(C(N)=NOC(C)C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)n1
InChIInChI=1S/C24H30N6O2/c1-15-13-16(2)30(28-15)21-12-7-18(14-26-21)22(25)29-32-17(3)23(31)27-20-10-8-19(9-11-20)24(4,5)6/h7-14,17H,1-6H3,(H2,25,29)(H,27,31)
InChIKeyLAGWOPQCUYFHEI-UHFFFAOYSA-N
XLogP3.85
TPSA107.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.85
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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Related Compounds

2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3-iodophenyl)acetamide
CID 75264712
3-amino-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-2-methylbutanamide;dihydrochloride
CID 120502939
(2S)-2-acetamido-N-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]-3-methylbutanamide
CID 31908169
[2-(4-benzamidophenyl)-2-oxoethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644829
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55645010
propan-2-yl 6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carboxylate
CID 55644847
6-(3,5-dimethylpyrazol-1-yl)-N-(6-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 166228864
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-[(Z)-[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(3,3-diphenylpropyl)acetamide
CID 60609646
(2S)-N-(4-acetylphenyl)-2-[[amino(phenyl)methylidene]amino]oxypropanamide
CID 2478819
[(2S)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 4-(3,5-dimethylpyrazol-1-yl)benzoate
CID 8934571

Frequently Asked Questions

What is the IUPAC name of 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide?
The IUPAC name of 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide (CID 72692107) is 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide.
What is the SMILES notation for 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide?
The canonical SMILES for 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide is Cc1cc(C)n(-c2ccc(C(N)=NOC(C)C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)n1.
What is the InChIKey of 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide?
The InChIKey is LAGWOPQCUYFHEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-15-13-16(2)30(28-15)21-12-7-18(14-26-21)22(25)29-32-17(3)23(31)27-20-10-8-19(9-11-20)24(4,5)6/h7-14,17H,1-6H3,(H2,25,29)(H,27,31).
What are the key properties of 2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide?
2-[[amino-[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylidene]amino]oxy-N-(4-tert-butylphenyl)propanamide has a molecular weight of 434.54 g/mol, XLogP of 3.85, 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-(4-tert-butylphenyl)propanamide is sourced from PubChem (CID 72692107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).