1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

C23H26FN3O3 — CID 124950641

IUPAC1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCc1cc(Cc2ccccc2F)cc([C@H]2CN(C(=O)CN3CCCC3=O)CCO2)n1
InChIInChI=1S/C23H26FN3O3/c1-16-11-17(12-18-5-2-3-6-19(18)24)13-20(25-16)21-14-27(9-10-30-21)23(29)15-26-8-4-7-22(26)28/h2-3,5-6,11,13,21H,4,7-10,12,14-15H2,1H3/t21-/m1/s1
InChIKeyDDCDNUCYGMVMET-OAQYLSRUSA-N
MW411.48 g/mol
LogP2.64
Rot. Bonds5

About 1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one

1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one (PubChem CID 124950641) has the molecular formula C23H26FN3O3 and a molecular weight of 411.48 g/mol. Its IUPAC name is 1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
PubChem CID124950641
Molecular FormulaC23H26FN3O3
Molecular Weight411.48 g/mol
Exact Mass411.20
IUPAC Name1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
SMILESCc1cc(Cc2ccccc2F)cc([C@H]2CN(C(=O)CN3CCCC3=O)CCO2)n1
InChIInChI=1S/C23H26FN3O3/c1-16-11-17(12-18-5-2-3-6-19(18)24)13-20(25-16)21-14-27(9-10-30-21)23(29)15-26-8-4-7-22(26)28/h2-3,5-6,11,13,21H,4,7-10,12,14-15H2,1H3/t21-/m1/s1
InChIKeyDDCDNUCYGMVMET-OAQYLSRUSA-N
XLogP2.64
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.48
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one (CID 124950641) is 1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one is Cc1cc(Cc2ccccc2F)cc([C@H]2CN(C(=O)CN3CCCC3=O)CCO2)n1.
What is the InChIKey of 1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
The InChIKey is DDCDNUCYGMVMET-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H26FN3O3/c1-16-11-17(12-18-5-2-3-6-19(18)24)13-20(25-16)21-14-27(9-10-30-21)23(29)15-26-8-4-7-22(26)28/h2-3,5-6,11,13,21H,4,7-10,12,14-15H2,1H3/t21-/m1/s1.
What are the key properties of 1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one?
1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one has a molecular weight of 411.48 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2R)-2-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one is sourced from PubChem (CID 124950641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).