(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one

C19H23N3O2 — CID 42287956

IUPAC(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
SMILESCOc1ccc(CCN2C[C@@H](NCc3cccnc3)CC2=O)cc1
InChIInChI=1S/C19H23N3O2/c1-24-18-6-4-15(5-7-18)8-10-22-14-17(11-19(22)23)21-13-16-3-2-9-20-12-16/h2-7,9,12,17,21H,8,10-11,13-14H2,1H3/t17-/m0/s1
InChIKeyMYBXIKUXVYFOCX-KRWDZBQOSA-N
MW325.41 g/mol
LogP2.02
Rot. Bonds7

About (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one

(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one (PubChem CID 42287956) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
PubChem CID42287956
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
SMILESCOc1ccc(CCN2C[C@@H](NCc3cccnc3)CC2=O)cc1
InChIInChI=1S/C19H23N3O2/c1-24-18-6-4-15(5-7-18)8-10-22-14-17(11-19(22)23)21-13-16-3-2-9-20-12-16/h2-7,9,12,17,21H,8,10-11,13-14H2,1H3/t17-/m0/s1
InChIKeyMYBXIKUXVYFOCX-KRWDZBQOSA-N
XLogP2.02
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methoxyphenyl)ethyl]-4-[(1-methylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 45229589
1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
CID 45209241
(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-[(4-pyrazol-1-ylphenyl)methylamino]pyrrolidin-2-one
CID 25292872
(4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 42521409
4-(1H-benzimidazol-2-ylmethylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45231611
1-[2-(4-methoxyphenyl)ethyl]-4-[(5-methyl-1H-imidazol-4-yl)methylamino]pyrrolidin-2-one
CID 45250844
(4S)-4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 42210577
4-(cyclohexylamino)-1-[2-(4-methoxyphenyl)ethyl]pyrrolidin-2-one
CID 45235933
1-[2-(3,4-dimethoxyphenyl)ethyl]-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 46110110
N-[(3S)-1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 42475396
1-[2-(4-methoxyphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168708660
N-[1-[2-(4-methoxyphenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-(methylamino)pyridine-3-carboxamide
CID 56894023

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one (CID 42287956) is (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one is COc1ccc(CCN2C[C@@H](NCc3cccnc3)CC2=O)cc1.
What is the InChIKey of (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one?
The InChIKey is MYBXIKUXVYFOCX-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-24-18-6-4-15(5-7-18)8-10-22-14-17(11-19(22)23)21-13-16-3-2-9-20-12-16/h2-7,9,12,17,21H,8,10-11,13-14H2,1H3/t17-/m0/s1.
What are the key properties of (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one?
(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one has a molecular weight of 325.41 g/mol, XLogP of 2.02, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 42287956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).