1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one

C27H35N3O3Si — CID 59704509

IUPAC1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1
InChIInChI=1S/C27H35N3O3Si/c1-27(2,3)34(4,5)33-24-13-15-29(19-24)25-12-11-22(18-28-25)30-16-14-23(17-26(30)31)32-20-21-9-7-6-8-10-21/h6-12,14,16-18,24H,13,15,19-20H2,1-5H3/t24-/m1/s1
InChIKeyCKXPOQPSECFQMU-XMMPIXPASA-N
MW477.68 g/mol
LogP5.41
Rot. Bonds7

About 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one

1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one (PubChem CID 59704509) has the molecular formula C27H35N3O3Si and a molecular weight of 477.68 g/mol. Its IUPAC name is 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
PubChem CID59704509
Molecular FormulaC27H35N3O3Si
Molecular Weight477.68 g/mol
Exact Mass477.24
IUPAC Name1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
SMILESCC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1
InChIInChI=1S/C27H35N3O3Si/c1-27(2,3)34(4,5)33-24-13-15-29(19-24)25-12-11-22(18-28-25)30-16-14-23(17-26(30)31)32-20-21-9-7-6-8-10-21/h6-12,14,16-18,24H,13,15,19-20H2,1-5H3/t24-/m1/s1
InChIKeyCKXPOQPSECFQMU-XMMPIXPASA-N
XLogP5.41
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.68
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one (CID 59704509) is 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one is CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1.
What is the InChIKey of 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is CKXPOQPSECFQMU-XMMPIXPASA-N. The full InChI is InChI=1S/C27H35N3O3Si/c1-27(2,3)34(4,5)33-24-13-15-29(19-24)25-12-11-22(18-28-25)30-16-14-23(17-26(30)31)32-20-21-9-7-6-8-10-21/h6-12,14,16-18,24H,13,15,19-20H2,1-5H3/t24-/m1/s1.
What are the key properties of 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 477.68 g/mol, XLogP of 5.41, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 59704509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).