3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide

C18H20N4O3 — CID 4621915

IUPAC3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide
SMILESC=C(CC(=O)Nc1cccnc1)NNC(=O)COc1cccc(C)c1
InChIInChI=1S/C18H20N4O3/c1-13-5-3-7-16(9-13)25-12-18(24)22-21-14(2)10-17(23)20-15-6-4-8-19-11-15/h3-9,11,21H,2,10,12H2,1H3,(H,20,23)(H,22,24)
InChIKeyFCUCACYNWPJWCO-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.93
Rot. Bonds8

About 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide

3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide (PubChem CID 4621915) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide.

Molecular Properties

Compound Name3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide
PubChem CID4621915
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide
SMILESC=C(CC(=O)Nc1cccnc1)NNC(=O)COc1cccc(C)c1
InChIInChI=1S/C18H20N4O3/c1-13-5-3-7-16(9-13)25-12-18(24)22-21-14(2)10-17(23)20-15-6-4-8-19-11-15/h3-9,11,21H,2,10,12H2,1H3,(H,20,23)(H,22,24)
InChIKeyFCUCACYNWPJWCO-UHFFFAOYSA-N
XLogP1.93
TPSA92.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methylphenyl)-2-pyridin-3-yloxyacetamide
CID 110856684
2-(3-methylphenoxy)-N-(3-methylphenyl)acetamide
CID 2787094
2-(3-ethylphenoxy)-N-pyridin-3-ylacetamide
CID 26592501
2-(3-formylphenoxy)-N-pyridin-3-ylacetamide
CID 86685448
N-[3-[[2-(3-methylphenoxy)acetyl]amino]phenyl]propanamide
CID 883065
1-methyl-1-[2-(3-methylphenoxy)ethyl]-3-pyridin-3-ylurea
CID 18101625
methyl 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-3-oxopropanoate
CID 28638195
2-(3,5-dichlorophenoxy)-N-pyridin-3-ylacetamide
CID 75422770
N-(3-aminophenyl)-2-(3-methylphenoxy)acetamide
CID 16789843
2-(3-methylphenoxy)-N-pyridin-3-ylpropanamide
CID 6471992
2-ethoxy-N'-[2-(3-methylphenoxy)acetyl]acetohydrazide
CID 17140856
N-methyl-2-(3-methylphenoxy)acetamide
CID 15943355

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide?
The IUPAC name of 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide (CID 4621915) is 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide.
What is the SMILES notation for 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide?
The canonical SMILES for 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide is C=C(CC(=O)Nc1cccnc1)NNC(=O)COc1cccc(C)c1.
What is the InChIKey of 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide?
The InChIKey is FCUCACYNWPJWCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-13-5-3-7-16(9-13)25-12-18(24)22-21-14(2)10-17(23)20-15-6-4-8-19-11-15/h3-9,11,21H,2,10,12H2,1H3,(H,20,23)(H,22,24).
What are the key properties of 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide?
3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide has a molecular weight of 340.38 g/mol, XLogP of 1.93, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(3-methylphenoxy)acetyl]hydrazinyl]-N-pyridin-3-ylbut-3-enamide is sourced from PubChem (CID 4621915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).