N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide

C21H27N3O4 — CID 18442627

IUPACN-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide
SMILESO=CN(O)C(CC(=O)N1C=CCCN1C(=O)c1ccccc1)CC1CCCC1
InChIInChI=1S/C21H27N3O4/c25-16-24(28)19(14-17-8-4-5-9-17)15-20(26)22-12-6-7-13-23(22)21(27)18-10-2-1-3-11-18/h1-3,6,10-12,16-17,19,28H,4-5,7-9,13-15H2
InChIKeyMPKRYRVUVXPIGF-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.98
Rot. Bonds7

About N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide

N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide (PubChem CID 18442627) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide
PubChem CID18442627
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC NameN-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide
SMILESO=CN(O)C(CC(=O)N1C=CCCN1C(=O)c1ccccc1)CC1CCCC1
InChIInChI=1S/C21H27N3O4/c25-16-24(28)19(14-17-8-4-5-9-17)15-20(26)22-12-6-7-13-23(22)21(27)18-10-2-1-3-11-18/h1-3,6,10-12,16-17,19,28H,4-5,7-9,13-15H2
InChIKeyMPKRYRVUVXPIGF-UHFFFAOYSA-N
XLogP2.98
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(cyclopentylmethyl)-3-[formyl(hydroxy)amino]propanoyl]-3,4-dihydropyridazine-1-carboxylic acid
CID 18442603
(2S)-2-amino-3-cyclohexyl-1-phenylpropan-1-one
CID 101260297
N-[(2R)-2-(cyclopentylmethyl)-3-oxo-3-[2-(2-phenylacetyl)pyrazolidin-1-yl]propyl]-N-hydroxyformamide
CID 56683894
2-bromo-3-cyclopentyl-1-phenylpropan-1-one
CID 11808108
N-[(2R)-2-(cyclopentylmethyl)-3-[2-(furan-3-carbonyl)diazinan-1-yl]-3-oxopropyl]-N-hydroxyformamide
CID 56663530
(4-ethylazepan-1-yl)-phenylmethanone
CID 23381477
2-cyclopentyl-1-phenylethanone;hydrochloride
CID 174593040
4-[3-(benzamidomethyl)piperidine-1-carbonyl]benzoic acid
CID 119183635
2-(1-benzoyl-3-ethylpiperidin-4-yl)-1-(4-hydroxypiperidin-1-yl)ethanone
CID 73148945
(2-hydroxypiperidin-1-yl)-phenylmethanone
CID 14920288
2-(1-benzoylpiperidin-4-yl)-1-(4-phenylpiperazin-1-yl)ethanone
CID 46294968
[4-[(E)-4-hydroxybut-2-enyl]piperidin-1-yl]-phenylmethanone
CID 11021598

Frequently Asked Questions

What is the IUPAC name of N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide?
The IUPAC name of N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide (CID 18442627) is N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide.
What is the SMILES notation for N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide?
The canonical SMILES for N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide is O=CN(O)C(CC(=O)N1C=CCCN1C(=O)c1ccccc1)CC1CCCC1.
What is the InChIKey of N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide?
The InChIKey is MPKRYRVUVXPIGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c25-16-24(28)19(14-17-8-4-5-9-17)15-20(26)22-12-6-7-13-23(22)21(27)18-10-2-1-3-11-18/h1-3,6,10-12,16-17,19,28H,4-5,7-9,13-15H2.
What are the key properties of N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide?
N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide has a molecular weight of 385.46 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-benzoyl-3,4-dihydropyridazin-1-yl)-1-cyclopentyl-4-oxobutan-2-yl]-N-hydroxyformamide is sourced from PubChem (CID 18442627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).