(3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide

C18H20N4O3 — CID 6069598

IUPAC(3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide
SMILESC/C(CC(=O)Nc1cccnc1)=N/NC(=O)COc1ccccc1C
InChIInChI=1S/C18H20N4O3/c1-13-6-3-4-8-16(13)25-12-18(24)22-21-14(2)10-17(23)20-15-7-5-9-19-11-15/h3-9,11H,10,12H2,1-2H3,(H,20,23)(H,22,24)/b21-14-
InChIKeyDKALSMLTKTZJEW-STZFKDTASA-N
MW340.38 g/mol
LogP2.29
Rot. Bonds7

About (3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide

(3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide (PubChem CID 6069598) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide.

Molecular Properties

Compound Name(3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide
PubChem CID6069598
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide
SMILESC/C(CC(=O)Nc1cccnc1)=N/NC(=O)COc1ccccc1C
InChIInChI=1S/C18H20N4O3/c1-13-6-3-4-8-16(13)25-12-18(24)22-21-14(2)10-17(23)20-15-7-5-9-19-11-15/h3-9,11H,10,12H2,1-2H3,(H,20,23)(H,22,24)/b21-14-
InChIKeyDKALSMLTKTZJEW-STZFKDTASA-N
XLogP2.29
TPSA92.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(1,3-benzodioxol-5-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 4282772
N-(9-ethylcarbazol-3-yl)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 3107349
N-(4-methylphenyl)-N'-[[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]oxamide
CID 78460789
2-(2-methylphenoxy)-N-pyridin-4-ylacetamide
CID 1101312
2,4-dimethoxy-N-[[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]benzamide
CID 4292221
N-(2-methoxy-5-methylphenyl)-N'-[(Z)-[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]oxamide
CID 20846970
N-(2-methoxy-5-methylphenyl)-N'-[[4-oxo-4-(pyridin-3-ylamino)butan-2-ylidene]amino]oxamide
CID 15945768
N-(4-fluorophenyl)-3-[(2-phenoxyacetyl)hydrazinylidene]butanamide
CID 15945779
N-(4-acetamidophenyl)-3-[[2-(4-bromo-2-methylphenoxy)acetyl]hydrazinylidene]butanamide
CID 4147649
N-pyridin-3-yl-2-[2-(trifluoromethyl)phenoxy]acetamide
CID 75414453
(3E)-3-[[2-(2-bromo-4-methylphenoxy)acetyl]hydrazinylidene]-N-(3-methylphenyl)butanamide
CID 6322490
N-[4-(dimethylamino)phenyl]-3-[[2-(2-methoxyphenoxy)acetyl]hydrazinylidene]butanamide
CID 3780148

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide?
The IUPAC name of (3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide (CID 6069598) is (3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide.
What is the SMILES notation for (3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide?
The canonical SMILES for (3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide is C/C(CC(=O)Nc1cccnc1)=N/NC(=O)COc1ccccc1C.
What is the InChIKey of (3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide?
The InChIKey is DKALSMLTKTZJEW-STZFKDTASA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13-6-3-4-8-16(13)25-12-18(24)22-21-14(2)10-17(23)20-15-7-5-9-19-11-15/h3-9,11H,10,12H2,1-2H3,(H,20,23)(H,22,24)/b21-14-.
What are the key properties of (3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide?
(3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide has a molecular weight of 340.38 g/mol, XLogP of 2.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-[[2-(2-methylphenoxy)acetyl]hydrazinylidene]-N-pyridin-3-ylbutanamide is sourced from PubChem (CID 6069598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).