1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide

C24H25N5O4 — CID 121067031

IUPAC1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C24H25N5O4/c1-2-21(30)27-19-10-8-18(9-11-19)23(32)25-14-15-26-24(33)20-12-13-22(31)29(28-20)16-17-6-4-3-5-7-17/h3-13H,2,14-16H2,1H3,(H,25,32)(H,26,33)(H,27,30)
InChIKeyJPBPDJYNHPTGDO-UHFFFAOYSA-N
MW447.50 g/mol
LogP1.80
Rot. Bonds9

About 1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide

1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide (PubChem CID 121067031) has the molecular formula C24H25N5O4 and a molecular weight of 447.50 g/mol. Its IUPAC name is 1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide
PubChem CID121067031
Molecular FormulaC24H25N5O4
Molecular Weight447.50 g/mol
Exact Mass447.19
IUPAC Name1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide
SMILESCCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1
InChIInChI=1S/C24H25N5O4/c1-2-21(30)27-19-10-8-18(9-11-19)23(32)25-14-15-26-24(33)20-12-13-22(31)29(28-20)16-17-6-4-3-5-7-17/h3-13H,2,14-16H2,1H3,(H,25,32)(H,26,33)(H,27,30)
InChIKeyJPBPDJYNHPTGDO-UHFFFAOYSA-N
XLogP1.80
TPSA122.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
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

propyl 4-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]benzoate
CID 24677548
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-benzyl-N-[2-(2-ethylanilino)-2-oxoethyl]-6-oxopyridazine-3-carboxamide
CID 31287347
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257
1-[(4-chlorophenyl)methyl]-6-oxo-N-phenylpyridazine-3-carboxamide
CID 41247714
4-(propanoylamino)-N-[2-(propanoylamino)ethyl]benzamide
CID 121062260
1-benzyl-6-oxo-N-(2-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 35864486
1-benzyl-6-oxo-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]pyridazine-3-carboxamide
CID 51923294
1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121033347
1-benzyl-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-6-oxopyridazine-3-carboxamide
CID 32964770
[2-(4-methylanilino)-2-oxoethyl] 1-benzyl-6-oxopyridazine-3-carboxylate
CID 29313682
1-benzyl-N-[(2-methylphenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 39730942

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide (CID 121067031) is 1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide is CCC(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(=O)n(Cc3ccccc3)n2)cc1.
What is the InChIKey of 1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide?
The InChIKey is JPBPDJYNHPTGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O4/c1-2-21(30)27-19-10-8-18(9-11-19)23(32)25-14-15-26-24(33)20-12-13-22(31)29(28-20)16-17-6-4-3-5-7-17/h3-13H,2,14-16H2,1H3,(H,25,32)(H,26,33)(H,27,30).
What are the key properties of 1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide?
1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide has a molecular weight of 447.50 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 1-benzyl-6-oxo-N-[2-[[4-(propanoylamino)benzoyl]amino]ethyl]pyridazine-3-carboxamide is sourced from PubChem (CID 121067031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).