2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide

C13H20N4O3 — CID 154801023

IUPAC2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(N2C[C@@H](CC(=O)N(C)C)[C@H](O)C2)nn1
InChIInChI=1S/C13H20N4O3/c1-16(2)13(19)6-9-7-17(8-10(9)18)11-4-5-12(20-3)15-14-11/h4-5,9-10,18H,6-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyLNYKJOODLMEOBF-NXEZZACHSA-N
MW280.33 g/mol
LogP-0.24
Rot. Bonds4

About 2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide

2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide (PubChem CID 154801023) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is 2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide
PubChem CID154801023
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide
SMILESCOc1ccc(N2C[C@@H](CC(=O)N(C)C)[C@H](O)C2)nn1
InChIInChI=1S/C13H20N4O3/c1-16(2)13(19)6-9-7-17(8-10(9)18)11-4-5-12(20-3)15-14-11/h4-5,9-10,18H,6-8H2,1-3H3/t9-,10-/m1/s1
InChIKeyLNYKJOODLMEOBF-NXEZZACHSA-N
XLogP-0.24
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide 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

2-[(3R,4S)-4-hydroxy-1-[(4-methoxypyrimidin-2-yl)methyl]pyrrolidin-3-yl]-N,N-dimethylacetamide
CID 146153861
2-[(3aS,7S,7aR)-2-(6-methylpyridazin-3-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N,N-dimethylacetamide
CID 134690213
2-[(3R,4S)-4-hydroxy-1-(5-phenoxypyrimidin-2-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide
CID 146113163
ethyl 4-(6-methoxypyridazin-3-yl)piperazine-1-carboxylate
CID 16883423
2-[(3R,4S)-1-(4-ethoxy-5-methylpyrimidin-2-yl)-4-hydroxypyrrolidin-3-yl]-N,N-dimethylacetamide
CID 146113160
cyclopropyl-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883287
N-benzyl-1-(6-methoxypyridazin-3-yl)-N-methylpiperidine-3-carboxamide
CID 75490694
1-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]butan-1-one
CID 16883280
(3R)-N-(3-methoxypropyl)-1-(6-methoxypyridazin-3-yl)piperidine-3-carboxamide
CID 97265102
formic acid;1-[(3R,4R)-4-hydroxy-1-[6-(1-methylimidazol-2-yl)pyridazin-3-yl]pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 155972402
(2-ethoxyphenyl)-[4-(6-methoxypyridazin-3-yl)piperazin-1-yl]methanone
CID 16883306
methyl 6-[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazine-3-carboxylate
CID 129497824

Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide?
The IUPAC name of 2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide (CID 154801023) is 2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide is COc1ccc(N2C[C@@H](CC(=O)N(C)C)[C@H](O)C2)nn1.
What is the InChIKey of 2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide?
The InChIKey is LNYKJOODLMEOBF-NXEZZACHSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-16(2)13(19)6-9-7-17(8-10(9)18)11-4-5-12(20-3)15-14-11/h4-5,9-10,18H,6-8H2,1-3H3/t9-,10-/m1/s1.
What are the key properties of 2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide?
2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide has a molecular weight of 280.33 g/mol, XLogP of -0.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-4-hydroxy-1-(6-methoxypyridazin-3-yl)pyrrolidin-3-yl]-N,N-dimethylacetamide is sourced from PubChem (CID 154801023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).