1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide

C19H23N3O3 — CID 111426248

IUPAC1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H23N3O3/c23-17(15-8-4-5-9-15)12-20-19(25)16-10-11-18(24)22(21-16)13-14-6-2-1-3-7-14/h1-3,6-7,10-11,15,17,23H,4-5,8-9,12-13H2,(H,20,25)
InChIKeyMENVAZYDQDYPDK-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.57
Rot. Bonds6

About 1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide

1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide (PubChem CID 111426248) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide
PubChem CID111426248
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide
SMILESO=C(NCC(O)C1CCCC1)c1ccc(=O)n(Cc2ccccc2)n1
InChIInChI=1S/C19H23N3O3/c23-17(15-8-4-5-9-15)12-20-19(25)16-10-11-18(24)22(21-16)13-14-6-2-1-3-7-14/h1-3,6-7,10-11,15,17,23H,4-5,8-9,12-13H2,(H,20,25)
InChIKeyMENVAZYDQDYPDK-UHFFFAOYSA-N
XLogP1.57
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide 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

N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide
CID 111426076
N-(2-cyclopentyl-2-hydroxyethyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 111426020
1-benzyl-N-(2-methylpropyl)-6-oxopyridazine-3-carboxamide
CID 42161849
1-benzyl-N-(3-cyclopentylpropyl)-6-oxopyridazine-3-carboxamide
CID 38857490
1-benzyl-N-cycloheptyl-N-methyl-6-oxopyridazine-3-carboxamide
CID 51287190
N-[2-(aminomethyl)cyclohexyl]-1-benzyl-6-oxopyridazine-3-carboxamide
CID 119612211
1-benzyl-6-oxo-N-pyrrolidin-3-ylpyridazine-3-carboxamide;hydrochloride
CID 119453902
cis-(1S,3R)-3-[(1-benzyl-6-oxopyridazine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 120676410
N-(2-amino-2-methylpropyl)-1-benzyl-6-oxopyridazine-3-carboxamide;hydrochloride
CID 119630257
1-benzyl-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-6-oxopyridazine-3-carboxamide
CID 112789918
1-benzyl-6-oxo-N-[2-(6-oxo-3-phenylpyridazin-1-yl)ethyl]pyridazine-3-carboxamide
CID 121033347
1-benzyl-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-6-oxopyridazine-3-carboxamide
CID 112761495

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide (CID 111426248) is 1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide is O=C(NCC(O)C1CCCC1)c1ccc(=O)n(Cc2ccccc2)n1.
What is the InChIKey of 1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide?
The InChIKey is MENVAZYDQDYPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-17(15-8-4-5-9-15)12-20-19(25)16-10-11-18(24)22(21-16)13-14-6-2-1-3-7-14/h1-3,6-7,10-11,15,17,23H,4-5,8-9,12-13H2,(H,20,25).
What are the key properties of 1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide?
1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide has a molecular weight of 341.41 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-cyclopentyl-2-hydroxyethyl)-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 111426248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).