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

C25H30N4O2 — CID 24964039

IUPAC1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
SMILESCC(C)N(C)[C@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1
InChIInChI=1S/C25H30N4O2/c1-19(2)27(3)22-11-13-28(17-22)24-10-9-21(16-26-24)29-14-12-23(15-25(29)30)31-18-20-7-5-4-6-8-20/h4-10,12,14-16,19,22H,11,13,17-18H2,1-3H3/t22-/m0/s1
InChIKeyWNZQQINKHWRXAL-QFIPXVFZSA-N
MW418.54 g/mol
LogP3.73
Rot. Bonds7

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

1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one (PubChem CID 24964039) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is 1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one.

Molecular Properties

Compound Name1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
PubChem CID24964039
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC Name1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
SMILESCC(C)N(C)[C@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1
InChIInChI=1S/C25H30N4O2/c1-19(2)27(3)22-11-13-28(17-22)24-10-9-21(16-26-24)29-14-12-23(15-25(29)30)31-18-20-7-5-4-6-8-20/h4-10,12,14-16,19,22H,11,13,17-18H2,1-3H3/t22-/m0/s1
InChIKeyWNZQQINKHWRXAL-QFIPXVFZSA-N
XLogP3.73
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[6-[(3S)-3-aminopyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24963342
1-[6-[(3S)-3-methoxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24968323
1-[6-[3-(2-methylpropyl)piperazin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24964400
1-[6-[3-(methylamino)piperidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 24968671
1-[6-[(3R)-3-[tert-butyl(dimethyl)silyl]oxypyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one
CID 59704509
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
tert-butyl N-methyl-N-[3-methyl-1-[5-(2-oxo-4-phenylmethoxy-1-pyridinyl)-2-pyridinyl]pyrrolidin-3-yl]carbamate
CID 24967614
N-[1-[5-[4-[(5-chloro-2-pyridinyl)methoxy]-2-oxo-1-pyridinyl]-2-pyridinyl]pyrrolidin-3-yl]-N-methylacetamide
CID 42642006

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The IUPAC name of 1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one (CID 24964039) is 1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one.
What is the SMILES notation for 1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The canonical SMILES for 1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one is CC(C)N(C)[C@H]1CCN(c2ccc(-n3ccc(OCc4ccccc4)cc3=O)cn2)C1.
What is the InChIKey of 1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
The InChIKey is WNZQQINKHWRXAL-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-19(2)27(3)22-11-13-28(17-22)24-10-9-21(16-26-24)29-14-12-23(15-25(29)30)31-18-20-7-5-4-6-8-20/h4-10,12,14-16,19,22H,11,13,17-18H2,1-3H3/t22-/m0/s1.
What are the key properties of 1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one?
1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one has a molecular weight of 418.54 g/mol, XLogP of 3.73, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(3S)-3-[methyl(propan-2-yl)amino]pyrrolidin-1-yl]-3-pyridinyl]-4-phenylmethoxypyridin-2-one is sourced from PubChem (CID 24964039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).