(4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

C13H19N3O2 — CID 125175328

IUPAC(4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](Cc2ccc(N)cn2)CC1=O
InChIInChI=1S/C13H19N3O2/c1-18-5-4-16-9-10(7-13(16)17)6-12-3-2-11(14)8-15-12/h2-3,8,10H,4-7,9,14H2,1H3/t10-/m1/s1
InChIKeyICPQRUNWTAEWJV-SNVBAGLBSA-N
MW249.31 g/mol
LogP0.70
Rot. Bonds5

About (4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 125175328) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is (4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID125175328
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name(4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCOCCN1C[C@H](Cc2ccc(N)cn2)CC1=O
InChIInChI=1S/C13H19N3O2/c1-18-5-4-16-9-10(7-13(16)17)6-12-3-2-11(14)8-15-12/h2-3,8,10H,4-7,9,14H2,1H3/t10-/m1/s1
InChIKeyICPQRUNWTAEWJV-SNVBAGLBSA-N
XLogP0.70
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124755869
(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 124757294
4-[(3,5-dimethylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91828980
1-(2-methoxyethyl)-4-[(4-methylsulfanylphenyl)methyl]pyrrolidin-2-one
CID 91841931
(4R)-4-[(5-ethyl-2-methylpyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124757873
1-(2-methoxyethyl)-4-[(8-methoxy-4-methylquinolin-2-yl)methyl]pyrrolidin-2-one
CID 91829477
(4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
CID 124752474
4-[(4,6-dimethoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91831533
(4S)-1-(2-methoxyethyl)-4-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrrolidin-2-one
CID 124843968
(4R)-4-[(5-fluoro-4-methoxypyrimidin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124755480
1-(2-methoxyethyl)-4-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-one
CID 91780549
(4R)-4-[(7-fluoro-4-methylquinolin-2-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124750402

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 125175328) is (4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is COCCN1C[C@H](Cc2ccc(N)cn2)CC1=O.
What is the InChIKey of (4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is ICPQRUNWTAEWJV-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-18-5-4-16-9-10(7-13(16)17)6-12-3-2-11(14)8-15-12/h2-3,8,10H,4-7,9,14H2,1H3/t10-/m1/s1.
What are the key properties of (4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 125175328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).