(4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one

C18H25N3O3 — CID 124752474

IUPAC(4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2cc(C(=O)N3CCCC3)ccn2)CC1=O
InChIInChI=1S/C18H25N3O3/c1-24-9-8-21-13-14(11-17(21)22)10-16-12-15(4-5-19-16)18(23)20-6-2-3-7-20/h4-5,12,14H,2-3,6-11,13H2,1H3/t14-/m0/s1
InChIKeyJMWCFMJAUKEYNZ-AWEZNQCLSA-N
MW331.42 g/mol
LogP1.36
Rot. Bonds6

About (4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one

(4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one (PubChem CID 124752474) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is (4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
PubChem CID124752474
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name(4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one
SMILESCOCCN1C[C@@H](Cc2cc(C(=O)N3CCCC3)ccn2)CC1=O
InChIInChI=1S/C18H25N3O3/c1-24-9-8-21-13-14(11-17(21)22)10-16-12-15(4-5-19-16)18(23)20-6-2-3-7-20/h4-5,12,14H,2-3,6-11,13H2,1H3/t14-/m0/s1
InChIKeyJMWCFMJAUKEYNZ-AWEZNQCLSA-N
XLogP1.36
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one with MolForge

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Related Compounds

(4S)-1-(2-methoxyethyl)-4-[(4-methyl-2-pyridinyl)methyl]pyrrolidin-2-one
CID 124757294
(4R)-4-[(6-aminopyrimidin-4-yl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 124755869
(4R)-4-[(5-amino-2-pyridinyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125175328
4-[[4-(cyclobutanecarbonyl)phenyl]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 91829961
(2-fluoro-4-pyridinyl)-[4-(2-methoxyethyl)-1,4-diazepan-1-yl]methanone
CID 61292545
4-[[[2-(azepane-1-carbonyl)-7-methylimidazo[1,2-a]pyridin-3-yl]methylamino]methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 45228640
4-[4-(3,4-difluorobenzoyl)piperazine-1-carbonyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 110346325
(4S)-4-[(3-acetylphenyl)methyl]-1-(2-methoxyethyl)pyrrolidin-2-one
CID 125177993
(4S)-1-(2-methoxyethyl)-4-[(1-methylpyrrolo[2,3-b]pyridin-4-yl)methyl]pyrrolidin-2-one
CID 124843968
1-(2-methoxyethyl)-4-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]pyrrolidin-2-one
CID 91832320
2-[[1-(2-methoxyethyl)-5-oxopyrrolidin-3-yl]methyl]-N-methylpyridine-3-carboxamide
CID 91828677
[2-(aminomethyl)-4-pyridinyl]-(azepan-1-yl)methanone
CID 112530475

Frequently Asked Questions

What is the IUPAC name of (4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The IUPAC name of (4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one (CID 124752474) is (4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The canonical SMILES for (4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one is COCCN1C[C@@H](Cc2cc(C(=O)N3CCCC3)ccn2)CC1=O.
What is the InChIKey of (4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
The InChIKey is JMWCFMJAUKEYNZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-24-9-8-21-13-14(11-17(21)22)10-16-12-15(4-5-19-16)18(23)20-6-2-3-7-20/h4-5,12,14H,2-3,6-11,13H2,1H3/t14-/m0/s1.
What are the key properties of (4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one?
(4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.36, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-(2-methoxyethyl)-4-[[4-(pyrrolidine-1-carbonyl)-2-pyridinyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 124752474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).