4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide

C27H25N5O4 — CID 121052131

IUPAC4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCNC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)cc1
InChIInChI=1S/C27H25N5O4/c1-18(33)30-21-11-9-20(10-12-21)27(36)29-16-15-28-25(34)17-32-26(35)14-13-24(31-32)23-8-4-6-19-5-2-3-7-22(19)23/h2-14H,15-17H2,1H3,(H,28,34)(H,29,36)(H,30,33)
InChIKeyFKKHTAXWMLYTFS-UHFFFAOYSA-N
MW483.53 g/mol
LogP2.57
Rot. Bonds8

About 4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide

4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide (PubChem CID 121052131) has the molecular formula C27H25N5O4 and a molecular weight of 483.53 g/mol. Its IUPAC name is 4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide.

Molecular Properties

Compound Name4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide
PubChem CID121052131
Molecular FormulaC27H25N5O4
Molecular Weight483.53 g/mol
Exact Mass483.19
IUPAC Name4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide
SMILESCC(=O)Nc1ccc(C(=O)NCCNC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)cc1
InChIInChI=1S/C27H25N5O4/c1-18(33)30-21-11-9-20(10-12-21)27(36)29-16-15-28-25(34)17-32-26(35)14-13-24(31-32)23-8-4-6-19-5-2-3-7-22(19)23/h2-14H,15-17H2,1H3,(H,28,34)(H,29,36)(H,30,33)
InChIKeyFKKHTAXWMLYTFS-UHFFFAOYSA-N
XLogP2.57
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.53
LogP ≤ 52.57
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

N-(4-cyanophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052176
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-[[2-(6-oxo-3-phenylpyridazin-1-yl)acetyl]amino]ethyl]benzamide
CID 121050109
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(6-oxo-3-thiophen-2-ylpyridazin-1-yl)ethyl]acetamide
CID 121052126
2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)-N-[2-(3-oxo-6,7-dihydro-5H-cyclopenta[c]pyridazin-2-yl)ethyl]acetamide
CID 122280800
N-(3-fluorophenyl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664874
N-[(3-methoxyphenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 7664920
2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]-2-phenylacetic acid
CID 53371090
methyl (2S)-3-methyl-2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]butanoate
CID 91640855
N-[(2,4-difluorophenyl)methyl]-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052173
4-(cyclopropanecarbonylamino)-N-[2-[[2-[3-(4-ethylphenyl)-6-oxopyridazin-1-yl]acetyl]amino]ethyl]benzamide
CID 121050984
N-(1H-benzimidazol-2-yl)-2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetamide
CID 121052073

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide?
The IUPAC name of 4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide (CID 121052131) is 4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide.
What is the SMILES notation for 4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide?
The canonical SMILES for 4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide is CC(=O)Nc1ccc(C(=O)NCCNC(=O)Cn2nc(-c3cccc4ccccc34)ccc2=O)cc1.
What is the InChIKey of 4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide?
The InChIKey is FKKHTAXWMLYTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O4/c1-18(33)30-21-11-9-20(10-12-21)27(36)29-16-15-28-25(34)17-32-26(35)14-13-24(31-32)23-8-4-6-19-5-2-3-7-22(19)23/h2-14H,15-17H2,1H3,(H,28,34)(H,29,36)(H,30,33).
What are the key properties of 4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide?
4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide has a molecular weight of 483.53 g/mol, XLogP of 2.57, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-[2-[[2-(3-naphthalen-1-yl-6-oxopyridazin-1-yl)acetyl]amino]ethyl]benzamide is sourced from PubChem (CID 121052131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).