(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide

C19H24N4O5 — CID 100633542

IUPAC(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
SMILESCOc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(OC)c(OC)c3)C2)nn1
InChIInChI=1S/C19H24N4O5/c1-25-15-5-4-13(10-16(15)26-2)11-20-19(24)23-9-8-14(12-23)28-18-7-6-17(27-3)21-22-18/h4-7,10,14H,8-9,11-12H2,1-3H3,(H,20,24)/t14-/m0/s1
InChIKeyQAELWMCFTQDRLA-AWEZNQCLSA-N
MW388.42 g/mol
LogP1.87
Rot. Bonds7

About (3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide

(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide (PubChem CID 100633542) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is (3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
PubChem CID100633542
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Name(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
SMILESCOc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(OC)c(OC)c3)C2)nn1
InChIInChI=1S/C19H24N4O5/c1-25-15-5-4-13(10-16(15)26-2)11-20-19(24)23-9-8-14(12-23)28-18-7-6-17(27-3)21-22-18/h4-7,10,14H,8-9,11-12H2,1-3H3,(H,20,24)/t14-/m0/s1
InChIKeyQAELWMCFTQDRLA-AWEZNQCLSA-N
XLogP1.87
TPSA95.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide 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

N-[(3,4-dimethoxyphenyl)methyl]-4-(6-methylpyridazin-3-yl)oxypiperidine-1-carboxamide
CID 90559688
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridazin-3-yloxypyrrolidine-1-carboxamide
CID 90638467
N-[(3,4-dimethoxyphenyl)methyl]-3-(2,6-dimethylpyrimidin-4-yl)oxypiperidine-1-carboxamide
CID 122260530
N-[(3,4-dimethoxyphenyl)methyl]-4-hydroxypiperidine-1-carboxamide
CID 38151892
N-[(3,4-dimethoxyphenyl)methyl]-3-(5-ethylpyrimidin-2-yl)oxypiperidine-1-carboxamide
CID 122268321
3-[6-(dimethylamino)pyridazin-3-yl]oxy-N-[(4-fluorophenyl)methyl]pyrrolidine-1-carboxamide
CID 90639799
N-[(3,4-dimethoxyphenyl)methyl]piperidine-1-carboxamide
CID 108896757
3-[(4-cyano-2-pyridinyl)oxy]-N-[(3,4-dimethoxyphenyl)methyl]azetidine-1-carboxamide
CID 122252572
N-benzyl-3-[6-(dimethylamino)pyridazin-3-yl]oxypyrrolidine-1-carboxamide
CID 91627623
N-benzyl-3-(6-methoxypyrazin-2-yl)oxypyrrolidine-1-carboxamide
CID 90637578
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide
CID 51124414
N-(3,5-dimethylphenyl)-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide
CID 90639329

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide (CID 100633542) is (3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide is COc1ccc(O[C@H]2CCN(C(=O)NCc3ccc(OC)c(OC)c3)C2)nn1.
What is the InChIKey of (3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
The InChIKey is QAELWMCFTQDRLA-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-25-15-5-4-13(10-16(15)26-2)11-20-19(24)23-9-8-14(12-23)28-18-7-6-17(27-3)21-22-18/h4-7,10,14H,8-9,11-12H2,1-3H3,(H,20,24)/t14-/m0/s1.
What are the key properties of (3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide?
(3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide has a molecular weight of 388.42 g/mol, XLogP of 1.87, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(3,4-dimethoxyphenyl)methyl]-3-(6-methoxypyridazin-3-yl)oxypyrrolidine-1-carboxamide is sourced from PubChem (CID 100633542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).