2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide

C18H30N4O3 — CID 72885800

IUPAC2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(CCOC)C[C@@H]1NC(=O)Cn1nc(C)c(C)cc1=O
InChIInChI=1S/C18H30N4O3/c1-5-6-15-10-21(7-8-25-4)11-16(15)19-17(23)12-22-18(24)9-13(2)14(3)20-22/h9,15-16H,5-8,10-12H2,1-4H3,(H,19,23)/t15-,16-/m0/s1
InChIKeyTZHBMLLBTDHPJD-HOTGVXAUSA-N
MW350.46 g/mol
LogP0.72
Rot. Bonds8

About 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide

2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide (PubChem CID 72885800) has the molecular formula C18H30N4O3 and a molecular weight of 350.46 g/mol. Its IUPAC name is 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide
PubChem CID72885800
Molecular FormulaC18H30N4O3
Molecular Weight350.46 g/mol
Exact Mass350.23
IUPAC Name2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide
SMILESCCC[C@H]1CN(CCOC)C[C@@H]1NC(=O)Cn1nc(C)c(C)cc1=O
InChIInChI=1S/C18H30N4O3/c1-5-6-15-10-21(7-8-25-4)11-16(15)19-17(23)12-22-18(24)9-13(2)14(3)20-22/h9,15-16H,5-8,10-12H2,1-4H3,(H,19,23)/t15-,16-/m0/s1
InChIKeyTZHBMLLBTDHPJD-HOTGVXAUSA-N
XLogP0.72
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide?
The IUPAC name of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide (CID 72885800) is 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide is CCC[C@H]1CN(CCOC)C[C@@H]1NC(=O)Cn1nc(C)c(C)cc1=O.
What is the InChIKey of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide?
The InChIKey is TZHBMLLBTDHPJD-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H30N4O3/c1-5-6-15-10-21(7-8-25-4)11-16(15)19-17(23)12-22-18(24)9-13(2)14(3)20-22/h9,15-16H,5-8,10-12H2,1-4H3,(H,19,23)/t15-,16-/m0/s1.
What are the key properties of 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide?
2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide has a molecular weight of 350.46 g/mol, XLogP of 0.72, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethyl-6-oxopyridazin-1-yl)-N-[(3R,4S)-1-(2-methoxyethyl)-4-propylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 72885800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).