N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide

C14H19N3O4 — CID 154773873

IUPACN-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H19N3O4/c18-12-3-4-13(19)17(15-12)8-14(20)16(11-1-2-11)7-10-5-6-21-9-10/h3-4,10-11H,1-2,5-9H2,(H,15,18)
InChIKeyJBJREWNEFRIISD-UHFFFAOYSA-N
MW293.32 g/mol
LogP-0.44
Rot. Bonds5

About N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide

N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide (PubChem CID 154773873) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide
PubChem CID154773873
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC NameN-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide
SMILESO=C(Cn1[nH]c(=O)ccc1=O)N(CC1CCOC1)C1CC1
InChIInChI=1S/C14H19N3O4/c18-12-3-4-13(19)17(15-12)8-14(20)16(11-1-2-11)7-10-5-6-21-9-10/h3-4,10-11H,1-2,5-9H2,(H,15,18)
InChIKeyJBJREWNEFRIISD-UHFFFAOYSA-N
XLogP-0.44
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 5-0.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide?
The IUPAC name of N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide (CID 154773873) is N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide is O=C(Cn1[nH]c(=O)ccc1=O)N(CC1CCOC1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide?
The InChIKey is JBJREWNEFRIISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O4/c18-12-3-4-13(19)17(15-12)8-14(20)16(11-1-2-11)7-10-5-6-21-9-10/h3-4,10-11H,1-2,5-9H2,(H,15,18).
What are the key properties of N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide?
N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide has a molecular weight of 293.32 g/mol, XLogP of -0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(3,6-dioxo-1H-pyridazin-2-yl)-N-(oxolan-3-ylmethyl)acetamide is sourced from PubChem (CID 154773873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).