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

C22H23N3O3 — CID 24968323

IUPAC1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
SMILESCO[C@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1
InChIInChI=1S/C22H23N3O3/c1-27-20-9-11-24(15-20)21-8-7-18(14-23-21)25-12-10-19(13-22(25)26)28-16-17-5-3-2-4-6-17/h2-8,10,12-14,20H,9,11,15-16H2,1H3/t20-/m0/s1
InChIKeyCBTMVCZIADTHHD-FQEVSTJZSA-N
MW377.44 g/mol
LogP3.04
Rot. Bonds6

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

1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one (PubChem CID 24968323) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
PubChem CID24968323
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
SMILESCO[C@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1
InChIInChI=1S/C22H23N3O3/c1-27-20-9-11-24(15-20)21-8-7-18(14-23-21)25-12-10-19(13-22(25)26)28-16-17-5-3-2-4-6-17/h2-8,10,12-14,20H,9,11,15-16H2,1H3/t20-/m0/s1
InChIKeyCBTMVCZIADTHHD-FQEVSTJZSA-N
XLogP3.04
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 59704509
1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24963342
1-[6-[3-(methylamino)piperidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24968671
1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24964039
1-[6-[3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24964400
1-[6-[(3S)-3-(2-oxopyrrolidin-1-yl)pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24967972
1-[6-[(3aS,6aR)-2-ethyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 59704425
1-[6-[(3aR)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 71104059
2-methoxy-2-methylpropane;1-[5-[(3R)-3-(methylamino)pyrrolidin-1-yl]-2-pyridinyl]-4-phenylmethoxypyridin-2-one;hydrate
CID 143653290
tert-butyl 2-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole-5-carboxylate
CID 24966880
4-[(4-fluorophenyl)methoxy]-1-[6-[(3R,4R)-3-hydroxy-4-(methylamino)pyrrolidin-1-yl]-3-pyridinyl]pyridin-2-one
CID 24965117
tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 24967614

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one (CID 24968323) is 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one is CO[C@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1.
What is the InChIKey of 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is CBTMVCZIADTHHD-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-27-20-9-11-24(15-20)21-8-7-18(14-23-21)25-12-10-19(13-22(25)26)28-16-17-5-3-2-4-6-17/h2-8,10,12-14,20H,9,11,15-16H2,1H3/t20-/m0/s1.
What are the key properties of 1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 377.44 g/mol, XLogP of 3.04, 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-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 24968323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).