4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide

C24H25N5O4S — CID 121076669

IUPAC4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide
SMILESCC(C(=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C24H25N5O4S/c1-15(29-21(30)11-10-19(28-29)20-3-2-14-34-20)22(31)25-12-13-26-23(32)16-6-8-18(9-7-16)27-24(33)17-4-5-17/h2-3,6-11,14-15,17H,4-5,12-13H2,1H3,(H,25,31)(H,26,32)(H,27,33)
InChIKeyICQZDRHETDWCQL-UHFFFAOYSA-N
MW479.56 g/mol
LogP2.43
Rot. Bonds9

About 4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide

4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide (PubChem CID 121076669) has the molecular formula C24H25N5O4S and a molecular weight of 479.56 g/mol. Its IUPAC name is 4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide.

Molecular Properties

Compound Name4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide
PubChem CID121076669
Molecular FormulaC24H25N5O4S
Molecular Weight479.56 g/mol
Exact Mass479.16
IUPAC Name4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide
SMILESCC(C(=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)n1nc(-c2cccs2)ccc1=O
InChIInChI=1S/C24H25N5O4S/c1-15(29-21(30)11-10-19(28-29)20-3-2-14-34-20)22(31)25-12-13-26-23(32)16-6-8-18(9-7-16)27-24(33)17-4-5-17/h2-3,6-11,14-15,17H,4-5,12-13H2,1H3,(H,25,31)(H,26,32)(H,27,33)
InChIKeyICQZDRHETDWCQL-UHFFFAOYSA-N
XLogP2.43
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopentyl-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076614
N-[2-[2-(6-oxo-3-pyridin-4-ylpyridazin-1-yl)propanoylamino]ethyl]-4-(propanoylamino)benzamide
CID 121101308
N-(3-methylphenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076536
4-(cyclopropanecarbonylamino)-N-[2-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide
CID 121050109
N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]-1-(6-thiophen-2-ylpyridazin-3-yl)piperidine-3-carboxamide
CID 121071421
2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-(1-phenylethyl)propanamide
CID 121076577
N-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121119360
N-(3-methyl-1,2-thiazol-5-yl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076688
4-(cyclopentanecarbonylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062258
4-(cyclopropanecarbonylamino)-N-[2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]ethyl]benzamide
CID 121050984
N-(2-cyano-4-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076580
N-(4-fluoro-3-nitrophenyl)-2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanamide
CID 121076555

Frequently Asked Questions

What is the IUPAC name of 4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide?
The IUPAC name of 4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide (CID 121076669) is 4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide.
What is the SMILES notation for 4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide?
The canonical SMILES for 4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide is CC(C(=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1)n1nc(-c2cccs2)ccc1=O.
What is the InChIKey of 4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide?
The InChIKey is ICQZDRHETDWCQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4S/c1-15(29-21(30)11-10-19(28-29)20-3-2-14-34-20)22(31)25-12-13-26-23(32)16-6-8-18(9-7-16)27-24(33)17-4-5-17/h2-3,6-11,14-15,17H,4-5,12-13H2,1H3,(H,25,31)(H,26,32)(H,27,33).
What are the key properties of 4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide?
4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide has a molecular weight of 479.56 g/mol, XLogP of 2.43, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopropanecarbonylamino)-N-[2-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)propanoylamino]ethyl]benzamide is sourced from PubChem (CID 121076669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).