1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide

C16H26N4O3 — CID 91920254

IUPAC1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCOCCn1ncc(N2CCC(C(=O)NCC(C)C)C2)cc1=O
InChIInChI=1S/C16H26N4O3/c1-12(2)9-17-16(22)13-4-5-19(11-13)14-8-15(21)20(18-10-14)6-7-23-3/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,17,22)
InChIKeyJRXXBOFLVIICJR-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.49
Rot. Bonds7

About 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide

1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide (PubChem CID 91920254) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide
PubChem CID91920254
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide
SMILESCOCCn1ncc(N2CCC(C(=O)NCC(C)C)C2)cc1=O
InChIInChI=1S/C16H26N4O3/c1-12(2)9-17-16(22)13-4-5-19(11-13)14-8-15(21)20(18-10-14)6-7-23-3/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,17,22)
InChIKeyJRXXBOFLVIICJR-UHFFFAOYSA-N
XLogP0.49
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide (CID 91920254) is 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide is COCCn1ncc(N2CCC(C(=O)NCC(C)C)C2)cc1=O.
What is the InChIKey of 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
The InChIKey is JRXXBOFLVIICJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-12(2)9-17-16(22)13-4-5-19(11-13)14-8-15(21)20(18-10-14)6-7-23-3/h8,10,12-13H,4-7,9,11H2,1-3H3,(H,17,22).
What are the key properties of 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide?
1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 0.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-(2-methylpropyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91920254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).