(3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one

C18H25N3O2 — CID 97078452

IUPAC(3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one
SMILESO=C1[C@H](N(Cc2cccnc2)C[C@@H]2CCCO2)CCN1C1CC1
InChIInChI=1S/C18H25N3O2/c22-18-17(7-9-21(18)15-5-6-15)20(13-16-4-2-10-23-16)12-14-3-1-8-19-11-14/h1,3,8,11,15-17H,2,4-7,9-10,12-13H2/t16-,17+/m0/s1
InChIKeyDUDQCOXSBJDIMU-DLBZAZTESA-N
MW315.42 g/mol
LogP1.83
Rot. Bonds6

About (3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one

(3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one (PubChem CID 97078452) has the molecular formula C18H25N3O2 and a molecular weight of 315.42 g/mol. Its IUPAC name is (3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one
PubChem CID97078452
Molecular FormulaC18H25N3O2
Molecular Weight315.42 g/mol
Exact Mass315.19
IUPAC Name(3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one
SMILESO=C1[C@H](N(Cc2cccnc2)C[C@@H]2CCCO2)CCN1C1CC1
InChIInChI=1S/C18H25N3O2/c22-18-17(7-9-21(18)15-5-6-15)20(13-16-4-2-10-23-16)12-14-3-1-8-19-11-14/h1,3,8,11,15-17H,2,4-7,9-10,12-13H2/t16-,17+/m0/s1
InChIKeyDUDQCOXSBJDIMU-DLBZAZTESA-N
XLogP1.83
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one with MolForge

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Related Compounds

1-(1-cyclopentylpiperidin-4-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)methanamine
CID 45198131
2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)acetamide
CID 55900273
2-nitro-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)aniline
CID 71845616
1-[[oxolan-2-ylmethyl(pyridin-3-ylmethyl)amino]methyl]cyclohexan-1-ol
CID 110905251
3-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)propanamide
CID 55900021
methyl 4-[[[(2R)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]methyl]benzoate
CID 95281906
N-[(4-imidazol-1-ylphenyl)methyl]-1-[(2S)-oxolan-2-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 95630548
5-(methoxymethyl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 87028392
N-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-ylmethyl)-1-(oxolan-2-yl)-N-(pyridin-3-ylmethyl)methanamine
CID 75513847
4-(5-bromo-1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)butanamide
CID 55900147
3,5-dimethoxy-N-(oxolan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzamide
CID 51121582
N-(oxolan-2-ylmethyl)-3-phenyl-N-(pyridin-3-ylmethyl)prop-2-enamide
CID 75904558

Frequently Asked Questions

What is the IUPAC name of (3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one?
The IUPAC name of (3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one (CID 97078452) is (3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one.
What is the SMILES notation for (3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one?
The canonical SMILES for (3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one is O=C1[C@H](N(Cc2cccnc2)C[C@@H]2CCCO2)CCN1C1CC1.
What is the InChIKey of (3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one?
The InChIKey is DUDQCOXSBJDIMU-DLBZAZTESA-N. The full InChI is InChI=1S/C18H25N3O2/c22-18-17(7-9-21(18)15-5-6-15)20(13-16-4-2-10-23-16)12-14-3-1-8-19-11-14/h1,3,8,11,15-17H,2,4-7,9-10,12-13H2/t16-,17+/m0/s1.
What are the key properties of (3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one?
(3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one has a molecular weight of 315.42 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-cyclopropyl-3-[[(2S)-oxolan-2-yl]methyl-(pyridin-3-ylmethyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 97078452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).