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

C18H20ClN3O — CID 42521409

IUPAC(4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
SMILESO=C1C[C@H](NCc2cccnc2)CN1CCc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O/c19-16-5-1-3-14(9-16)6-8-22-13-17(10-18(22)23)21-12-15-4-2-7-20-11-15/h1-5,7,9,11,17,21H,6,8,10,12-13H2/t17-/m0/s1
InChIKeyTWBVZJDJYSBWHC-KRWDZBQOSA-N
MW329.83 g/mol
LogP2.67
Rot. Bonds6

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

(4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one (PubChem CID 42521409) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is (4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
PubChem CID42521409
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name(4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
SMILESO=C1C[C@H](NCc2cccnc2)CN1CCc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O/c19-16-5-1-3-14(9-16)6-8-22-13-17(10-18(22)23)21-12-15-4-2-7-20-11-15/h1-5,7,9,11,17,21H,6,8,10,12-13H2/t17-/m0/s1
InChIKeyTWBVZJDJYSBWHC-KRWDZBQOSA-N
XLogP2.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(furan-3-ylmethylamino)pyrrolidin-2-one
CID 25396302
(4S)-1-[2-(4-methoxyphenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one
CID 42287956
(4R)-1-[2-(3-chlorophenyl)ethyl]-4-(cyclopropylmethylamino)pyrrolidin-2-one
CID 26406990
N-[4-[[[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]amino]methyl]phenyl]acetamide
CID 45226939
N-[(3R)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]acetamide
CID 25378968
4-chloro-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168688652
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]propanamide
CID 42567385
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]-2-imidazol-1-ylacetamide
CID 42530103
4-(aminomethyl)-1-[2-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 71683623
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]cyclobutanecarboxamide
CID 26329415
N-[(3S)-1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]but-2-ynamide
CID 26315273
N-[1-[2-(3-chlorophenyl)ethyl]-5-oxopyrrolidin-3-yl]furan-2-carboxamide
CID 45215931

Frequently Asked Questions

What is the IUPAC name of (4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one?
The IUPAC name of (4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one (CID 42521409) is (4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one.
What is the SMILES notation for (4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one?
The canonical SMILES for (4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one is O=C1C[C@H](NCc2cccnc2)CN1CCc1cccc(Cl)c1.
What is the InChIKey of (4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one?
The InChIKey is TWBVZJDJYSBWHC-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H20ClN3O/c19-16-5-1-3-14(9-16)6-8-22-13-17(10-18(22)23)21-12-15-4-2-7-20-11-15/h1-5,7,9,11,17,21H,6,8,10,12-13H2/t17-/m0/s1.
What are the key properties of (4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one?
(4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one has a molecular weight of 329.83 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1-[2-(3-chlorophenyl)ethyl]-4-(pyridin-3-ylmethylamino)pyrrolidin-2-one is sourced from PubChem (CID 42521409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).