1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-pentan-3-ylpyrrolidine-3-carboxamide

C17H28N4O3 — CID 91920247

IUPAC1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(c2cnn(CCOC)c(=O)c2)C1
InChIInChI=1S/C17H28N4O3/c1-4-14(5-2)19-17(23)13-6-7-20(12-13)15-10-16(22)21(18-11-15)8-9-24-3/h10-11,13-14H,4-9,12H2,1-3H3,(H,19,23)
InChIKeyYAFKVYBEHMNWCL-UHFFFAOYSA-N
MW336.44 g/mol
LogP1.02
Rot. Bonds8

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

1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-pentan-3-ylpyrrolidine-3-carboxamide (PubChem CID 91920247) has the molecular formula C17H28N4O3 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-pentan-3-ylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-pentan-3-ylpyrrolidine-3-carboxamide
PubChem CID91920247
Molecular FormulaC17H28N4O3
Molecular Weight336.44 g/mol
Exact Mass336.22
IUPAC Name1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-pentan-3-ylpyrrolidine-3-carboxamide
SMILESCCC(CC)NC(=O)C1CCN(c2cnn(CCOC)c(=O)c2)C1
InChIInChI=1S/C17H28N4O3/c1-4-14(5-2)19-17(23)13-6-7-20(12-13)15-10-16(22)21(18-11-15)8-9-24-3/h10-11,13-14H,4-9,12H2,1-3H3,(H,19,23)
InChIKeyYAFKVYBEHMNWCL-UHFFFAOYSA-N
XLogP1.02
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-pentan-3-ylpyrrolidine-3-carboxamide?
The IUPAC name of 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-pentan-3-ylpyrrolidine-3-carboxamide (CID 91920247) is 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-pentan-3-ylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-pentan-3-ylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-pentan-3-ylpyrrolidine-3-carboxamide is CCC(CC)NC(=O)C1CCN(c2cnn(CCOC)c(=O)c2)C1.
What is the InChIKey of 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-pentan-3-ylpyrrolidine-3-carboxamide?
The InChIKey is YAFKVYBEHMNWCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O3/c1-4-14(5-2)19-17(23)13-6-7-20(12-13)15-10-16(22)21(18-11-15)8-9-24-3/h10-11,13-14H,4-9,12H2,1-3H3,(H,19,23).
What are the key properties of 1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-pentan-3-ylpyrrolidine-3-carboxamide?
1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]-N-pentan-3-ylpyrrolidine-3-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 1.02, 8 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-pentan-3-ylpyrrolidine-3-carboxamide is sourced from PubChem (CID 91920247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).