6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide

C24H29N7O3 — CID 144903259

IUPAC6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide
SMILESC=C/C(=C\C)CNc1cc(Nc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)nnc1C(N)=O
InChIInChI=1S/C24H29N7O3/c1-4-17(5-2)15-26-20-14-21(28-29-22(20)23(25)33)27-19-8-6-18(7-9-19)24(34)31-12-10-30(11-13-31)16(3)32/h4-9,14H,1,10-13,15H2,2-3H3,(H2,25,33)(H2,26,27,28)/b17-5+
InChIKeyYGCGJILFLZIZBE-YAXRCOADSA-N
MW463.54 g/mol
LogP2.17
Rot. Bonds8

About 6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide

6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide (PubChem CID 144903259) has the molecular formula C24H29N7O3 and a molecular weight of 463.54 g/mol. Its IUPAC name is 6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide
PubChem CID144903259
Molecular FormulaC24H29N7O3
Molecular Weight463.54 g/mol
Exact Mass463.23
IUPAC Name6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide
SMILESC=C/C(=C\C)CNc1cc(Nc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)nnc1C(N)=O
InChIInChI=1S/C24H29N7O3/c1-4-17(5-2)15-26-20-14-21(28-29-22(20)23(25)33)27-19-8-6-18(7-9-19)24(34)31-12-10-30(11-13-31)16(3)32/h4-9,14H,1,10-13,15H2,2-3H3,(H2,25,33)(H2,26,27,28)/b17-5+
InChIKeyYGCGJILFLZIZBE-YAXRCOADSA-N
XLogP2.17
TPSA133.55 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.54
LogP ≤ 52.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide with MolForge

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Related Compounds

4-[[(Z)-2-ethenyl-3-fluorobut-2-enyl]amino]-6-[4-(4-propanoylpiperazin-1-yl)anilino]pyridazine-3-carboxamide
CID 118320659
1-[6-[4-(4-acetylpiperazin-1-yl)anilino]-4-[(3-pyridin-4-ylphenyl)methylamino]pyridazin-3-yl]ethanone
CID 129266294
6-[4-(1,1-dioxo-1,4-thiazinan-4-yl)anilino]-4-[(3-fluorophenyl)methylamino]pyridazine-3-carboxamide
CID 118320668
1-[4-[6-(3,4-dichloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109155276
methyl 6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyridazine-3-carboxylate
CID 108776741
1-[4-[5-(4-chloroanilino)pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231098
[4-(4-methylanilino)phenyl]-(4-methylpiperazin-1-yl)methanone
CID 58968593
1-[4-(4-tert-butylbenzoyl)piperazin-1-yl]ethanone
CID 78783485
1-[4-[4-[(4-ethoxy-6-methylpyrimidin-2-yl)amino]benzoyl]piperazin-1-yl]prop-2-en-1-one
CID 172887233
1-[4-[5-[4-(dimethylamino)anilino]pyridine-3-carbonyl]piperazin-1-yl]ethanone
CID 109231128
1-[4-[[4-(4-acetylpiperazine-1-carbonyl)-6-methylpyrimidin-2-yl]amino]phenyl]ethanone
CID 109326746
3-[4-(morpholine-4-carbonyl)anilino]pyrazine-2-carboxamide
CID 144857846

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide (CID 144903259) is 6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide is C=C/C(=C\C)CNc1cc(Nc2ccc(C(=O)N3CCN(C(C)=O)CC3)cc2)nnc1C(N)=O.
What is the InChIKey of 6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide?
The InChIKey is YGCGJILFLZIZBE-YAXRCOADSA-N. The full InChI is InChI=1S/C24H29N7O3/c1-4-17(5-2)15-26-20-14-21(28-29-22(20)23(25)33)27-19-8-6-18(7-9-19)24(34)31-12-10-30(11-13-31)16(3)32/h4-9,14H,1,10-13,15H2,2-3H3,(H2,25,33)(H2,26,27,28)/b17-5+.
What are the key properties of 6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide?
6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide has a molecular weight of 463.54 g/mol, XLogP of 2.17, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-acetylpiperazine-1-carbonyl)anilino]-4-[[(E)-2-ethenylbut-2-enyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 144903259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).