(3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine

C24H33N3O2 — CID 130344690

IUPAC(3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine
SMILESC[C@@H]1COCCN1c1cc(OC(C)(C)C)nc(N2CCCC2c2ccccc2)c1
InChIInChI=1S/C24H33N3O2/c1-18-17-28-14-13-26(18)20-15-22(25-23(16-20)29-24(2,3)4)27-12-8-11-21(27)19-9-6-5-7-10-19/h5-7,9-10,15-16,18,21H,8,11-14,17H2,1-4H3/t18-,21?/m1/s1
InChIKeyAWCCWLPMEWVZHW-ITUIMRKVSA-N
MW395.55 g/mol
LogP4.83
Rot. Bonds4

About (3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine

(3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine (PubChem CID 130344690) has the molecular formula C24H33N3O2 and a molecular weight of 395.55 g/mol. Its IUPAC name is (3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine
PubChem CID130344690
Molecular FormulaC24H33N3O2
Molecular Weight395.55 g/mol
Exact Mass395.26
IUPAC Name(3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine
SMILESC[C@@H]1COCCN1c1cc(OC(C)(C)C)nc(N2CCCC2c2ccccc2)c1
InChIInChI=1S/C24H33N3O2/c1-18-17-28-14-13-26(18)20-15-22(25-23(16-20)29-24(2,3)4)27-12-8-11-21(27)19-9-6-5-7-10-19/h5-7,9-10,15-16,18,21H,8,11-14,17H2,1-4H3/t18-,21?/m1/s1
InChIKeyAWCCWLPMEWVZHW-ITUIMRKVSA-N
XLogP4.83
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.55
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine (CID 130344690) is (3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine is C[C@@H]1COCCN1c1cc(OC(C)(C)C)nc(N2CCCC2c2ccccc2)c1.
What is the InChIKey of (3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine?
The InChIKey is AWCCWLPMEWVZHW-ITUIMRKVSA-N. The full InChI is InChI=1S/C24H33N3O2/c1-18-17-28-14-13-26(18)20-15-22(25-23(16-20)29-24(2,3)4)27-12-8-11-21(27)19-9-6-5-7-10-19/h5-7,9-10,15-16,18,21H,8,11-14,17H2,1-4H3/t18-,21?/m1/s1.
What are the key properties of (3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine?
(3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine has a molecular weight of 395.55 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[2-[(2-methylpropan-2-yl)oxy]-6-(2-phenylpyrrolidin-1-yl)-4-pyridinyl]morpholine is sourced from PubChem (CID 130344690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).