(5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one

C23H25N3O2 — CID 77080313

IUPAC(5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESCc1ccc(-c2ccccc2CN(Cc2cccnc2)C[C@@H]2CCC(=O)N2)o1
InChIInChI=1S/C23H25N3O2/c1-17-8-10-22(28-17)21-7-3-2-6-19(21)15-26(14-18-5-4-12-24-13-18)16-20-9-11-23(27)25-20/h2-8,10,12-13,20H,9,11,14-16H2,1H3,(H,25,27)/t20-/m0/s1
InChIKeyWSKMQIUQGQUHCJ-FQEVSTJZSA-N
MW375.47 g/mol
LogP3.93
Rot. Bonds7

About (5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one

(5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one (PubChem CID 77080313) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is (5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
PubChem CID77080313
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name(5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one
SMILESCc1ccc(-c2ccccc2CN(Cc2cccnc2)C[C@@H]2CCC(=O)N2)o1
InChIInChI=1S/C23H25N3O2/c1-17-8-10-22(28-17)21-7-3-2-6-19(21)15-26(14-18-5-4-12-24-13-18)16-20-9-11-23(27)25-20/h2-8,10,12-13,20H,9,11,14-16H2,1H3,(H,25,27)/t20-/m0/s1
InChIKeyWSKMQIUQGQUHCJ-FQEVSTJZSA-N
XLogP3.93
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one (CID 77080313) is (5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one is Cc1ccc(-c2ccccc2CN(Cc2cccnc2)C[C@@H]2CCC(=O)N2)o1.
What is the InChIKey of (5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
The InChIKey is WSKMQIUQGQUHCJ-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-17-8-10-22(28-17)21-7-3-2-6-19(21)15-26(14-18-5-4-12-24-13-18)16-20-9-11-23(27)25-20/h2-8,10,12-13,20H,9,11,14-16H2,1H3,(H,25,27)/t20-/m0/s1.
What are the key properties of (5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one?
(5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one has a molecular weight of 375.47 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[[2-(5-methylfuran-2-yl)phenyl]methyl-(pyridin-3-ylmethyl)amino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 77080313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).