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

C16H14ClN3O2 — CID 661653

IUPAC1-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccncc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O2/c17-12-1-3-13(4-2-12)20-15(21)9-14(16(20)22)19-10-11-5-7-18-8-6-11/h1-8,14,19H,9-10H2
InChIKeyMBCWRIQQZQGSLH-UHFFFAOYSA-N
MW315.76 g/mol
LogP2.16
Rot. Bonds4

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

1-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (PubChem CID 661653) has the molecular formula C16H14ClN3O2 and a molecular weight of 315.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
PubChem CID661653
Molecular FormulaC16H14ClN3O2
Molecular Weight315.76 g/mol
Exact Mass315.08
IUPAC Name1-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione
SMILESO=C1CC(NCc2ccncc2)C(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN3O2/c17-12-1-3-13(4-2-12)20-15(21)9-14(16(20)22)19-10-11-5-7-18-8-6-11/h1-8,14,19H,9-10H2
InChIKeyMBCWRIQQZQGSLH-UHFFFAOYSA-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

N-(4-Chlorophenyl)isonicotinamide
CID 571578
N-(2-(4-(4-chlorophenyl)piperazin-1-yl)ethyl)isonicotinamide
CID 45560581
1-(4-Fluorophenyl)-3-[methyl(4-pyridinylmethyl)amino]-2,5-pyrrolidinedione
CID 2927789
2-(3-chloro-N-(2-chloro-1-oxoethyl)anilino)-N-cyclohexyl-2-(3-pyridinyl)acetamide
CID 4381127
CID 4964154
CID 4964154
(3R,4R)-N3-(4-chlorophenyl)-N4-(2-fluoro-4-(2-oxopyridin-1(2H)-yl)phenyl)-1-(pyridin-4-ylmethyl)pyrrolidine-3,4-dicarboxamide
CID 49864436
2-[1-(4-chlorophenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylidene-4-imidazolidinyl]-N-(4-fluorophenyl)acetamide
CID 2981167
1-[(2-chlorophenyl)methyl]-5-oxo-N-(2-pyridin-2-ylethyl)pyrrolidine-3-carboxamide
CID 2998654
N-(4-chlorophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide
CID 3165618
2-[(chloroacetyl)(2-chlorophenyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 4380266
N-(3-chlorophenyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 16010642
2-[1-(4-chloro-3-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(3-pyridinyl)ethyl]acetamide
CID 16190519

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The IUPAC name of 1-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione (CID 661653) is 1-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is O=C1CC(NCc2ccncc2)C(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
The InChIKey is MBCWRIQQZQGSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O2/c17-12-1-3-13(4-2-12)20-15(21)9-14(16(20)22)19-10-11-5-7-18-8-6-11/h1-8,14,19H,9-10H2.
What are the key properties of 1-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione?
1-(4-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 1-(4-chlorophenyl)-3-(pyridin-4-ylmethylamino)pyrrolidine-2,5-dione is sourced from PubChem (CID 661653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).