1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one

C25H26N4O3 — CID 24967972

IUPAC1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
SMILESO=C1CCCN1[C@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1
InChIInChI=1S/C25H26N4O3/c30-24-7-4-12-28(24)21-10-13-27(17-21)23-9-8-20(16-26-23)29-14-11-22(15-25(29)31)32-18-19-5-2-1-3-6-19/h1-3,5-6,8-9,11,14-16,21H,4,7,10,12-13,17-18H2/t21-/m0/s1
InChIKeyRRERUFCGJJUAIT-NRFANRHFSA-N
MW430.51 g/mol
LogP3.01
Rot. Bonds6

About 1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one

1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one (PubChem CID 24967972) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is 1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
PubChem CID24967972
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC Name1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
SMILESO=C1CCCN1[C@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1
InChIInChI=1S/C25H26N4O3/c30-24-7-4-12-28(24)21-10-13-27(17-21)23-9-8-20(16-26-23)29-14-11-22(15-25(29)31)32-18-19-5-2-1-3-6-19/h1-3,5-6,8-9,11,14-16,21H,4,7,10,12-13,17-18H2/t21-/m0/s1
InChIKeyRRERUFCGJJUAIT-NRFANRHFSA-N
XLogP3.01
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one (CID 24967972) is 1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one is O=C1CCCN1[C@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1.
What is the InChIKey of 1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is RRERUFCGJJUAIT-NRFANRHFSA-N. The full InChI is InChI=1S/C25H26N4O3/c30-24-7-4-12-28(24)21-10-13-27(17-21)23-9-8-20(16-26-23)29-14-11-22(15-25(29)31)32-18-19-5-2-1-3-6-19/h1-3,5-6,8-9,11,14-16,21H,4,7,10,12-13,17-18H2/t21-/m0/s1.
What are the key properties of 1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 430.51 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 24967972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).