2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone

C24H32N4O4 — CID 129457900

IUPAC2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@]1(O)CCN(c2ccccn2)C1
InChIInChI=1S/C24H32N4O4/c1-26(18-24(30)9-11-28(19-24)22-4-2-3-10-25-22)16-20-5-7-21(8-6-20)32-17-23(29)27-12-14-31-15-13-27/h2-8,10,30H,9,11-19H2,1H3/t24-/m1/s1
InChIKeyRHFDHPWYABPTAU-XMMPIXPASA-N
MW440.54 g/mol
LogP1.39
Rot. Bonds8

About 2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone

2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone (PubChem CID 129457900) has the molecular formula C24H32N4O4 and a molecular weight of 440.54 g/mol. Its IUPAC name is 2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
PubChem CID129457900
Molecular FormulaC24H32N4O4
Molecular Weight440.54 g/mol
Exact Mass440.24
IUPAC Name2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
SMILESCN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@]1(O)CCN(c2ccccn2)C1
InChIInChI=1S/C24H32N4O4/c1-26(18-24(30)9-11-28(19-24)22-4-2-3-10-25-22)16-20-5-7-21(8-6-20)32-17-23(29)27-12-14-31-15-13-27/h2-8,10,30H,9,11-19H2,1H3/t24-/m1/s1
InChIKeyRHFDHPWYABPTAU-XMMPIXPASA-N
XLogP1.39
TPSA78.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone with MolForge

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Related Compounds

3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
CID 132778663
2-[4-[[methyl-[(5-methyl-1H-pyrazol-3-yl)methyl]amino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 77091308
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylcyclopropanecarboxamide
CID 110124176
2-[4-[[3-hydroxy-3-[(4-methylpiperazin-1-yl)methyl]pyrrolidin-1-yl]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 132778983
2-[4-[[[(3S)-1-[6-(dimethylamino)pyrimidin-4-yl]-3-hydroxypiperidin-3-yl]methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 129454102
2-(1-hydroxycyclohexyl)-N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methylacetamide
CID 110124246
2-[4-[[[(2R)-2-hydroxy-3-indol-1-ylpropyl]-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 129458218
3-[[[3-methoxy-4-[2-(4-methylpiperidin-1-yl)ethoxy]phenyl]methyl-methylamino]methyl]-1-pyridin-2-ylpyrrolidin-3-ol
CID 132767798
2-(4-chlorophenoxy)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 719964
3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
CID 132777867
2-[4-[(3-ethyl-3-hydroxypiperidin-1-yl)methyl]phenoxy]-1-morpholin-4-ylethanone
CID 77093029
N-[(3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl)methyl]-N-methyl-3-(5-methylpyrazol-1-yl)propanamide
CID 110124186

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone (CID 129457900) is 2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone is CN(Cc1ccc(OCC(=O)N2CCOCC2)cc1)C[C@]1(O)CCN(c2ccccn2)C1.
What is the InChIKey of 2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone?
The InChIKey is RHFDHPWYABPTAU-XMMPIXPASA-N. The full InChI is InChI=1S/C24H32N4O4/c1-26(18-24(30)9-11-28(19-24)22-4-2-3-10-25-22)16-20-5-7-21(8-6-20)32-17-23(29)27-12-14-31-15-13-27/h2-8,10,30H,9,11-19H2,1H3/t24-/m1/s1.
What are the key properties of 2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone?
2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone has a molecular weight of 440.54 g/mol, XLogP of 1.39, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone is sourced from PubChem (CID 129457900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).