(5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one

C25H27N3O2 — CID 166629576

IUPAC(5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C25H27N3O2/c1-17-21(18-7-4-3-5-8-18)9-6-10-22(17)23-13-11-19(25(28-23)30-2)15-26-16-20-12-14-24(29)27-20/h3-11,13,20,26H,12,14-16H2,1-2H3,(H,27,29)/t20-/m0/s1
InChIKeyYTUWCJKPGVVBCH-FQEVSTJZSA-N
MW401.51 g/mol
LogP4.10
Rot. Bonds7

About (5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one

(5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one (PubChem CID 166629576) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is (5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
PubChem CID166629576
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name(5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one
SMILESCOc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNC[C@@H]1CCC(=O)N1
InChIInChI=1S/C25H27N3O2/c1-17-21(18-7-4-3-5-8-18)9-6-10-22(17)23-13-11-19(25(28-23)30-2)15-26-16-20-12-14-24(29)27-20/h3-11,13,20,26H,12,14-16H2,1-2H3,(H,27,29)/t20-/m0/s1
InChIKeyYTUWCJKPGVVBCH-FQEVSTJZSA-N
XLogP4.10
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of (5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one (CID 166629576) is (5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for (5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one is COc1nc(-c2cccc(-c3ccccc3)c2C)ccc1CNC[C@@H]1CCC(=O)N1.
What is the InChIKey of (5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?
The InChIKey is YTUWCJKPGVVBCH-FQEVSTJZSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-17-21(18-7-4-3-5-8-18)9-6-10-22(17)23-13-11-19(25(28-23)30-2)15-26-16-20-12-14-24(29)27-20/h3-11,13,20,26H,12,14-16H2,1-2H3,(H,27,29)/t20-/m0/s1.
What are the key properties of (5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one?
(5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one has a molecular weight of 401.51 g/mol, XLogP of 4.10, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[[[2-methoxy-6-(2-methyl-3-phenylphenyl)-3-pyridinyl]methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 166629576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).