(3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one

C31H37N5O2 — CID 101461393

IUPAC(3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one
SMILESCC1(C)CN(c2ccccc2)C(=O)[C@H]1NCc1cccc(CN[C@@H]2C(=O)N(c3ccccc3)CC2(C)C)n1
InChIInChI=1S/C31H37N5O2/c1-30(2)20-35(24-14-7-5-8-15-24)28(37)26(30)32-18-22-12-11-13-23(34-22)19-33-27-29(38)36(21-31(27,3)4)25-16-9-6-10-17-25/h5-17,26-27,32-33H,18-21H2,1-4H3/t26-,27-/m1/s1
InChIKeyKEOKMMZPTKTJJH-KAYWLYCHSA-N
MW511.67 g/mol
LogP4.14
Rot. Bonds8

About (3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one

(3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one (PubChem CID 101461393) has the molecular formula C31H37N5O2 and a molecular weight of 511.67 g/mol. Its IUPAC name is (3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name(3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one
PubChem CID101461393
Molecular FormulaC31H37N5O2
Molecular Weight511.67 g/mol
Exact Mass511.29
IUPAC Name(3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one
SMILESCC1(C)CN(c2ccccc2)C(=O)[C@H]1NCc1cccc(CN[C@@H]2C(=O)N(c3ccccc3)CC2(C)C)n1
InChIInChI=1S/C31H37N5O2/c1-30(2)20-35(24-14-7-5-8-15-24)28(37)26(30)32-18-22-12-11-13-23(34-22)19-33-27-29(38)36(21-31(27,3)4)25-16-9-6-10-17-25/h5-17,26-27,32-33H,18-21H2,1-4H3/t26-,27-/m1/s1
InChIKeyKEOKMMZPTKTJJH-KAYWLYCHSA-N
XLogP4.14
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.67
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one with MolForge

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Related Compounds

(3S)-4,4-dimethyl-3-(methylamino)-1-phenylpyrrolidin-2-one
CID 101461396
3-[(6-methoxy-2-pyridinyl)methylamino]-1-phenylpiperidin-2-one
CID 119133512
5,5-dimethyl-4-(methylamino)-2-phenyl-1,4-dihydro-2-benzazepin-3-one
CID 23554410
N-[(6-methyl-2-pyridinyl)methyl]-1-phenylpiperidin-4-amine
CID 103778062
CID 59919906
CID 59919906
3-ethyl-4-hydroxy-3,5,5-trimethyl-1-phenylpiperazin-2-one
CID 70644597
[(3R)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl] (2S)-2-chloro-3-methylbutanoate
CID 100916773
3-[(1-methylpyrazol-3-yl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 82873070
(3R,4S)-3-benzyl-4-hydroxy-1-(4-methoxyphenyl)-4-methylpyrrolidin-2-one
CID 101405679
3,3-dichloro-4-methyl-1-phenylpyrrolidin-2-one
CID 10966750
3-hydroxy-1-(4-hydroxyphenyl)-4,4-dimethylpyrrolidin-2-one
CID 11736175
3-ethyl-3,5,5-trimethyl-1-phenylpiperazin-2-one
CID 134907528

Frequently Asked Questions

What is the IUPAC name of (3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one?
The IUPAC name of (3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one (CID 101461393) is (3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one.
What is the SMILES notation for (3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one?
The canonical SMILES for (3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one is CC1(C)CN(c2ccccc2)C(=O)[C@H]1NCc1cccc(CN[C@@H]2C(=O)N(c3ccccc3)CC2(C)C)n1.
What is the InChIKey of (3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one?
The InChIKey is KEOKMMZPTKTJJH-KAYWLYCHSA-N. The full InChI is InChI=1S/C31H37N5O2/c1-30(2)20-35(24-14-7-5-8-15-24)28(37)26(30)32-18-22-12-11-13-23(34-22)19-33-27-29(38)36(21-31(27,3)4)25-16-9-6-10-17-25/h5-17,26-27,32-33H,18-21H2,1-4H3/t26-,27-/m1/s1.
What are the key properties of (3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one?
(3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one has a molecular weight of 511.67 g/mol, XLogP of 4.14, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[[6-[[[(3S)-4,4-dimethyl-2-oxo-1-phenylpyrrolidin-3-yl]amino]methyl]-2-pyridinyl]methylamino]-4,4-dimethyl-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 101461393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).