N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide

C16H16N4O2 — CID 109110326

IUPACN-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2cccc(C(C)=O)c2)nn1
InChIInChI=1S/C16H16N4O2/c1-3-9-17-15-8-7-14(19-20-15)16(22)18-13-6-4-5-12(10-13)11(2)21/h3-8,10H,1,9H2,2H3,(H,17,20)(H,18,22)
InChIKeyAPMZHYJVRZASJG-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.53
Rot. Bonds6

About N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide

N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (PubChem CID 109110326) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
PubChem CID109110326
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
SMILESC=CCNc1ccc(C(=O)Nc2cccc(C(C)=O)c2)nn1
InChIInChI=1S/C16H16N4O2/c1-3-9-17-15-8-7-14(19-20-15)16(22)18-13-6-4-5-12(10-13)11(2)21/h3-8,10H,1,9H2,2H3,(H,17,20)(H,18,22)
InChIKeyAPMZHYJVRZASJG-UHFFFAOYSA-N
XLogP2.53
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110345
N-(3-acetylphenyl)-6-(2-methylpropylamino)pyridazine-3-carboxamide
CID 109111101
N-(3,4-dimethylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110282
6-(3-acetylanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129785
N-(4-acetamidophenyl)-6-(3-acetylanilino)pyridazine-3-carboxamide
CID 109129787
N-(3,5-dichlorophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110366
methyl 4-[[6-(prop-2-enylamino)pyridazine-3-carbonyl]amino]benzoate
CID 109110332
methyl 3-[[6-(3-acetylanilino)pyridazine-3-carbonyl]amino]benzoate
CID 109129789
N-(1,3-benzodioxol-5-yl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110351
N-(4-cyanophenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide
CID 109110375
6-(3-acetamidoanilino)-N-(4-acetylphenyl)pyridazine-3-carboxamide
CID 109129848
N-(3-acetylphenyl)-6-(4-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109128908

Frequently Asked Questions

What is the IUPAC name of N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The IUPAC name of N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide (CID 109110326) is N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The canonical SMILES for N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is C=CCNc1ccc(C(=O)Nc2cccc(C(C)=O)c2)nn1.
What is the InChIKey of N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
The InChIKey is APMZHYJVRZASJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-3-9-17-15-8-7-14(19-20-15)16(22)18-13-6-4-5-12(10-13)11(2)21/h3-8,10H,1,9H2,2H3,(H,17,20)(H,18,22).
What are the key properties of N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide?
N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetylphenyl)-6-(prop-2-enylamino)pyridazine-3-carboxamide is sourced from PubChem (CID 109110326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).