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

C21H22N4O2 — CID 24963342

IUPAC1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
SMILESN[C@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1
InChIInChI=1S/C21H22N4O2/c22-17-8-10-24(14-17)20-7-6-18(13-23-20)25-11-9-19(12-21(25)26)27-15-16-4-2-1-3-5-16/h1-7,9,11-13,17H,8,10,14-15,22H2/t17-/m0/s1
InChIKeyFKBVLHJCVFCOSQ-KRWDZBQOSA-N
MW362.43 g/mol
LogP2.35
Rot. Bonds5

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

1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one (PubChem CID 24963342) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is 1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
PubChem CID24963342
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC Name1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
SMILESN[C@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1
InChIInChI=1S/C21H22N4O2/c22-17-8-10-24(14-17)20-7-6-18(13-23-20)25-11-9-19(12-21(25)26)27-15-16-4-2-1-3-5-16/h1-7,9,11-13,17H,8,10,14-15,22H2/t17-/m0/s1
InChIKeyFKBVLHJCVFCOSQ-KRWDZBQOSA-N
XLogP2.35
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one (CID 24963342) is 1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one is N[C@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1.
What is the InChIKey of 1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is FKBVLHJCVFCOSQ-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H22N4O2/c22-17-8-10-24(14-17)20-7-6-18(13-23-20)25-11-9-19(12-21(25)26)27-15-16-4-2-1-3-5-16/h1-7,9,11-13,17H,8,10,14-15,22H2/t17-/m0/s1.
What are the key properties of 1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 362.43 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 24963342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).