1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one

C16H15ClN4O3 — CID 133340094

IUPAC1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one
SMILESCc1cc(NC2CCN(c3ccc(Cl)cc3)C2=O)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN4O3/c1-10-8-15(18-9-14(10)21(23)24)19-13-6-7-20(16(13)22)12-4-2-11(17)3-5-12/h2-5,8-9,13H,6-7H2,1H3,(H,18,19)
InChIKeyJKSZUXQKMKSPFA-UHFFFAOYSA-N
MW346.77 g/mol
LogP3.17
Rot. Bonds4

About 1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one

1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one (PubChem CID 133340094) has the molecular formula C16H15ClN4O3 and a molecular weight of 346.77 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one
PubChem CID133340094
Molecular FormulaC16H15ClN4O3
Molecular Weight346.77 g/mol
Exact Mass346.08
IUPAC Name1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one
SMILESCc1cc(NC2CCN(c3ccc(Cl)cc3)C2=O)ncc1[N+](=O)[O-]
InChIInChI=1S/C16H15ClN4O3/c1-10-8-15(18-9-14(10)21(23)24)19-13-6-7-20(16(13)22)12-4-2-11(17)3-5-12/h2-5,8-9,13H,6-7H2,1H3,(H,18,19)
InChIKeyJKSZUXQKMKSPFA-UHFFFAOYSA-N
XLogP3.17
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.77
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-amino-5-nitropyrimidin-2-yl)amino]-1-(4-methylphenyl)pyrrolidin-2-one
CID 133354008
3-[(4-amino-5-nitropyrimidin-2-yl)amino]-1-(3-chlorophenyl)pyrrolidin-2-one
CID 133338488
3-(4-fluoro-2-nitroanilino)-1-(4-methylphenyl)pyrrolidin-2-one
CID 133353914
1-(3,4-dichlorophenyl)-3-(3-methylsulfonyl-4-nitroanilino)pyrrolidin-2-one
CID 133439012
1-(3-chlorophenyl)-3-[(6-methylpyrimidin-4-yl)amino]pyrrolidin-2-one
CID 133338455
3-[(5-bromo-4-methyl-2-pyridinyl)amino]-1-methylpyrrolidin-2-one
CID 103858137
9-methyl-N-(4-methyl-5-nitro-2-pyridinyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 79165263
N-cyclohex-3-en-1-yl-4-methyl-5-nitropyridin-2-amine
CID 79177090
4-[[1-(3,4-dichlorophenyl)-2-oxopyrrolidin-3-yl]amino]-N-methyl-3-nitrobenzamide
CID 133439015
(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one
CID 95904705
1-(4-chlorophenyl)-3-[(1-methylpyrazolo[3,4-b]pyridin-4-yl)amino]pyrrolidin-2-one
CID 126800928
3-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidine-1-carboxamide
CID 75455179

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one?
The IUPAC name of 1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one (CID 133340094) is 1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one?
The canonical SMILES for 1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one is Cc1cc(NC2CCN(c3ccc(Cl)cc3)C2=O)ncc1[N+](=O)[O-].
What is the InChIKey of 1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one?
The InChIKey is JKSZUXQKMKSPFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O3/c1-10-8-15(18-9-14(10)21(23)24)19-13-6-7-20(16(13)22)12-4-2-11(17)3-5-12/h2-5,8-9,13H,6-7H2,1H3,(H,18,19).
What are the key properties of 1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one?
1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one has a molecular weight of 346.77 g/mol, XLogP of 3.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[(4-methyl-5-nitro-2-pyridinyl)amino]pyrrolidin-2-one is sourced from PubChem (CID 133340094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).