4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide

C25H25N5O4 — CID 121050109

IUPAC4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H25N5O4/c31-22(16-30-23(32)13-12-21(29-30)17-4-2-1-3-5-17)26-14-15-27-24(33)18-8-10-20(11-9-18)28-25(34)19-6-7-19/h1-5,8-13,19H,6-7,14-16H2,(H,26,31)(H,27,33)(H,28,34)
InChIKeyCBUVASAWOFZAEJ-UHFFFAOYSA-N
MW459.51 g/mol
LogP1.80
Rot. Bonds9

About 4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide

4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide (PubChem CID 121050109) has the molecular formula C25H25N5O4 and a molecular weight of 459.51 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide
PubChem CID121050109
Molecular FormulaC25H25N5O4
Molecular Weight459.51 g/mol
Exact Mass459.19
IUPAC Name4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide
SMILESO=C(Cn1nc(-c2ccccc2)ccc1=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C25H25N5O4/c31-22(16-30-23(32)13-12-21(29-30)17-4-2-1-3-5-17)26-14-15-27-24(33)18-8-10-20(11-9-18)28-25(34)19-6-7-19/h1-5,8-13,19H,6-7,14-16H2,(H,26,31)(H,27,33)(H,28,34)
InChIKeyCBUVASAWOFZAEJ-UHFFFAOYSA-N
XLogP1.80
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.51
LogP ≤ 51.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(cyclopropanecarbonylamino)-N-[2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]ethyl]benzamide
CID 121050984
4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide
CID 121052131
N-(3-hydroxybutyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 111429019
N-butyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 4064418
N-[2-oxo-2-[2-(6-oxo-3-phenylpyridazin-1-yl)ethylamino]ethyl]benzamide
CID 121033287
N-(4-ethylphenyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 6460502
2-[3-(4-chlorophenyl)-6-oxopyridazin-1-yl]-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]acetamide
CID 121051682
4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide
CID 121076669
N-(2-morpholin-4-ylethyl)-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053341
N-cyclooctyl-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 5053338
N-[2-[[2-[3-(2,5-dimethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]ethyl]-4-(2,2-dimethylpropanoylamino)benzamide
CID 121051981
4-(cyclopropanecarbonylamino)-N-(2-phenylphenyl)benzamide
CID 78767990

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide (CID 121050109) is 4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide is O=C(Cn1nc(-c2ccccc2)ccc1=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide?
The InChIKey is CBUVASAWOFZAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4/c31-22(16-30-23(32)13-12-21(29-30)17-4-2-1-3-5-17)26-14-15-27-24(33)18-8-10-20(11-9-18)28-25(34)19-6-7-19/h1-5,8-13,19H,6-7,14-16H2,(H,26,31)(H,27,33)(H,28,34).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide has a molecular weight of 459.51 g/mol, XLogP of 1.80, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 121050109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).