N-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide

C10H11N3O — CID 123480778

IUPACN-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide
SMILESC=CC(=C)C(=O)N(C)c1ccnnc1
InChIInChI=1S/C10H11N3O/c1-4-8(2)10(14)13(3)9-5-6-11-12-7-9/h4-7H,1-2H2,3H3
InChIKeyCEXJXFJPZPAYLF-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.18
Rot. Bonds3

About N-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide

N-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide (PubChem CID 123480778) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is N-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide.

Molecular Properties

Compound NameN-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide
PubChem CID123480778
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC NameN-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide
SMILESC=CC(=C)C(=O)N(C)c1ccnnc1
InChIInChI=1S/C10H11N3O/c1-4-8(2)10(14)13(3)9-5-6-11-12-7-9/h4-7H,1-2H2,3H3
InChIKeyCEXJXFJPZPAYLF-UHFFFAOYSA-N
XLogP1.18
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

Propanamide, 2,2-dimethyl-N-4-pyridazinyl-
CID 10012501
4-fluoro-2,5-dimethyl-N-pyridazin-4-yl-3H-pyrazole-4-carboxamide
CID 151047488
N,N-dimethylpyridazin-4-amine
CID 23273387
N-4-Pyridazinylacetamide
CID 23273413
1-[2-(Pyridazin-4-ylamino)ethyl]piperazin-2-one
CID 53997267
N-ethyl-N-pyridazin-4-ylformamide
CID 54562937
2-methyl-N-pyridazin-4-ylprop-2-enamide
CID 59502647
N-pyridazin-4-ylprop-2-enamide
CID 59502777
2-methyl-N-pyridazin-4-ylpropanamide
CID 59729258
1-Methylpyrido[2,3-d]pyridazin-2-one
CID 67003493
tert-butyl N-cyclopropyl-N-pyridazin-4-ylcarbamate
CID 67382662
2-pyridazin-4-yl-4H-pyrazol-3-one
CID 70107615

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide?
The IUPAC name of N-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide (CID 123480778) is N-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide.
What is the SMILES notation for N-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide?
The canonical SMILES for N-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide is C=CC(=C)C(=O)N(C)c1ccnnc1.
What is the InChIKey of N-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide?
The InChIKey is CEXJXFJPZPAYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-4-8(2)10(14)13(3)9-5-6-11-12-7-9/h4-7H,1-2H2,3H3.
What are the key properties of N-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide?
N-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide has a molecular weight of 189.22 g/mol, XLogP of 1.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-methylidene-N-pyridazin-4-ylbut-3-enamide is sourced from PubChem (CID 123480778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).