(4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one

C15H21N3O — CID 94933876

IUPAC(4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESN[C@@H]1CC(=O)N(C2CCCCC2)[C@@H]1c1cccnc1
InChIInChI=1S/C15H21N3O/c16-13-9-14(19)18(12-6-2-1-3-7-12)15(13)11-5-4-8-17-10-11/h4-5,8,10,12-13,15H,1-3,6-7,9,16H2/t13-,15-/m1/s1
InChIKeyDEVQHIRVQKIZIX-UKRRQHHQSA-N
MW259.35 g/mol
LogP2.02
Rot. Bonds2

About (4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one

(4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one (PubChem CID 94933876) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is (4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one
PubChem CID94933876
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC Name(4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one
SMILESN[C@@H]1CC(=O)N(C2CCCCC2)[C@@H]1c1cccnc1
InChIInChI=1S/C15H21N3O/c16-13-9-14(19)18(12-6-2-1-3-7-12)15(13)11-5-4-8-17-10-11/h4-5,8,10,12-13,15H,1-3,6-7,9,16H2/t13-,15-/m1/s1
InChIKeyDEVQHIRVQKIZIX-UKRRQHHQSA-N
XLogP2.02
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-1-cyclohexyl-5-(4-methylphenyl)pyrrolidin-2-one
CID 82193297
4-amino-1-cyclohexyl-5-(3-ethoxyphenyl)pyrrolidin-2-one
CID 82193310
(4S,5R)-1-cyclopropyl-5-pyridin-3-yl-4-[(1,3-thiazol-2-ylamino)methyl]pyrrolidin-2-one
CID 138018770
(5R,6S)-6-(azepane-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
CID 134701916
(4R,5S)-1-cyclopropyl-4-[(4-hydroxyoxan-4-yl)methylamino]-5-pyridin-3-ylpyrrolidin-2-one
CID 128987657
4-(aminomethyl)-1-ethyl-5-pyridin-3-ylpyrrolidin-2-one
CID 122360163
(4Z)-1-cyclohexyl-4-[hydroxy-(4-methylphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-2,3-dione
CID 108631083
(4R,5S)-1-cyclopropyl-4-(pyrazolo[1,5-a]pyridin-3-ylmethylamino)-5-pyridin-3-ylpyrrolidin-2-one
CID 128976731
2-pyridin-3-ylpiperidin-1-amine
CID 5026347
(4R,5S)-4-[(5-chloro-1,3-dimethylpyrazol-4-yl)methylamino]-1-cyclopropyl-5-pyridin-3-ylpyrrolidin-2-one
CID 128984259
1-cyclohexyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631115
(5R,6S)-6-(4-acetylpiperazine-1-carbonyl)-4-cyclopropyl-5-pyridin-3-ylmorpholin-3-one
CID 134713313

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one?
The IUPAC name of (4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one (CID 94933876) is (4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one.
What is the SMILES notation for (4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one?
The canonical SMILES for (4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one is N[C@@H]1CC(=O)N(C2CCCCC2)[C@@H]1c1cccnc1.
What is the InChIKey of (4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one?
The InChIKey is DEVQHIRVQKIZIX-UKRRQHHQSA-N. The full InChI is InChI=1S/C15H21N3O/c16-13-9-14(19)18(12-6-2-1-3-7-12)15(13)11-5-4-8-17-10-11/h4-5,8,10,12-13,15H,1-3,6-7,9,16H2/t13-,15-/m1/s1.
What are the key properties of (4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one?
(4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one has a molecular weight of 259.35 g/mol, XLogP of 2.02, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-amino-1-cyclohexyl-5-pyridin-3-ylpyrrolidin-2-one is sourced from PubChem (CID 94933876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).