1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide

C18H21N3O3 — CID 136587104

IUPAC1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)NC2CC(CO)(c3ccccc3)C2)ccc1=O
InChIInChI=1S/C18H21N3O3/c1-2-21-16(23)9-8-15(20-21)17(24)19-14-10-18(11-14,12-22)13-6-4-3-5-7-13/h3-9,14,22H,2,10-12H2,1H3,(H,19,24)
InChIKeyLUDHZXBKJVPOFM-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.09
Rot. Bonds5

About 1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide

1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide (PubChem CID 136587104) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide
PubChem CID136587104
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)NC2CC(CO)(c3ccccc3)C2)ccc1=O
InChIInChI=1S/C18H21N3O3/c1-2-21-16(23)9-8-15(20-21)17(24)19-14-10-18(11-14,12-22)13-6-4-3-5-7-13/h3-9,14,22H,2,10-12H2,1H3,(H,19,24)
InChIKeyLUDHZXBKJVPOFM-UHFFFAOYSA-N
XLogP1.09
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-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

1-ethyl-6-oxo-N-[(1R,2S)-2-phenoxycyclopentyl]pyridazine-3-carboxamide
CID 99774065
1-ethyl-6-oxo-N-(3-phenylpropyl)pyridazine-3-carboxamide
CID 121066866
N-(4-methylcyclohexyl)-6-oxo-1-propylpyridazine-3-carboxamide
CID 2541694
N-cyclooctyl-6-oxo-1-propylpyridazine-3-carboxamide
CID 39724166
N-(2-cyclopentyl-2-hydroxyethyl)-1-ethyl-6-oxopyridazine-3-carboxamide
CID 111426076
1-butyl-N-(3,3-dimethylcyclopentyl)-6-oxopyridazine-3-carboxamide
CID 115880517
1-ethyl-N-(1-hydroxy-2-methylpropan-2-yl)-6-oxopyridazine-3-carboxamide
CID 110001003
1-butyl-N-cycloheptyl-6-oxopyridazine-3-carboxamide
CID 42161985
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
1-ethyl-N-(3-ethyl-2-hydroxypentyl)-6-oxopyridazine-3-carboxamide
CID 111115815
N-cyclopropyl-6-oxo-1-phenylpyridazine-3-carboxamide
CID 31900847

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide?
The IUPAC name of 1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide (CID 136587104) is 1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide is CCn1nc(C(=O)NC2CC(CO)(c3ccccc3)C2)ccc1=O.
What is the InChIKey of 1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide?
The InChIKey is LUDHZXBKJVPOFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-2-21-16(23)9-8-15(20-21)17(24)19-14-10-18(11-14,12-22)13-6-4-3-5-7-13/h3-9,14,22H,2,10-12H2,1H3,(H,19,24).
What are the key properties of 1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide?
1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-(hydroxymethyl)-3-phenylcyclobutyl]-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 136587104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).