(3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione

C16H14ClN3O2 — CID 792666

IUPAC(3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](NCc2ccncc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O2/c17-12-2-1-3-13(8-12)20-15(21)9-14(16(20)22)19-10-11-4-6-18-7-5-11/h1-8,14,19H,9-10H2/t14-/m0/s1
InChIKeyWAWAVPCAFJCZBT-AWEZNQCLSA-N
MW315.76 g/mol
LogP2.16
Rot. Bonds4

About (3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione

(3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 792666) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is (3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID792666
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name(3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1C[C@H](NCc2ccncc2)C(=O)N1c1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O2/c17-12-2-1-3-13(8-12)20-15(21)9-14(16(20)22)19-10-11-4-6-18-7-5-11/h1-8,14,19H,9-10H2/t14-/m0/s1
InChIKeyWAWAVPCAFJCZBT-AWEZNQCLSA-N
XLogP2.16
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.76
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3R)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 792662
4-[[[(3R)-1-(3-chlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]methyl]benzenesulfonamide
CID 1118623
1-(3-chlorophenyl)-3-(2-phenylethylamino)pyrrolidine-2,5-dione
CID 2850027
1-(3-fluorophenyl)-3-(2-pyridin-4-ylethylamino)pyrrolidine-2,5-dione
CID 3962498
1-(2-iodophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 4764942
(3R)-1-(3-chlorophenyl)-3-(cyclohexylmethylamino)pyrrolidine-2,5-dione
CID 894163
1-(3-chlorophenyl)-3-[2-(1H-imidazol-5-yl)ethylamino]pyrrolidine-2,5-dione
CID 17324706
1-methyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43635991
(3R)-3-[(3-fluorophenyl)methylamino]-1-phenylpyrrolidine-2,5-dione
CID 1311152
1-cyclopropyl-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
CID 43636591
1-(3-chlorophenyl)-3-(2-morpholin-4-ylethylamino)pyrrolidine-2,5-dione
CID 2833582
(3R)-1-(3-chlorophenyl)-3-(4-iodoanilino)pyrrolidine-2,5-dione
CID 1354771

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of (3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (CID 792666) is (3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for (3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for (3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is O=C1C[C@H](NCc2ccncc2)C(=O)N1c1cccc(Cl)c1.
What is the InChIKey of (3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is WAWAVPCAFJCZBT-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-12-2-1-3-13(8-12)20-15(21)9-14(16(20)22)19-10-11-4-6-18-7-5-11/h1-8,14,19H,9-10H2/t14-/m0/s1.
What are the key properties of (3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
(3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione has a molecular weight of 315.76 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(3-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 792666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).