1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide

C10H10N4O4 — CID 168698038

IUPAC1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccncc2[N+](=O)[O-])C1
InChIInChI=1S/C10H10N4O4/c11-10(16)6-3-9(15)13(5-6)7-1-2-12-4-8(7)14(17)18/h1-2,4,6H,3,5H2,(H2,11,16)
InChIKeyAQLMIAOLNNOQHV-UHFFFAOYSA-N
MW250.21 g/mol
LogP-0.17
Rot. Bonds3

About 1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide

1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698038) has the molecular formula C10H10N4O4 and a molecular weight of 250.21 g/mol. Its IUPAC name is 1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168698038
Molecular FormulaC10H10N4O4
Molecular Weight250.21 g/mol
Exact Mass250.07
IUPAC Name1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2ccncc2[N+](=O)[O-])C1
InChIInChI=1S/C10H10N4O4/c11-10(16)6-3-9(15)13(5-6)7-1-2-12-4-8(7)14(17)18/h1-2,4,6H,3,5H2,(H2,11,16)
InChIKeyAQLMIAOLNNOQHV-UHFFFAOYSA-N
XLogP-0.17
TPSA119.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.21
LogP ≤ 5-0.17
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

1-(4-chloro-2-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697954
1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698152
5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 168698147
1-(2-bromo-5-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697723
(3R)-1-(4-methyl-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 94076167
1-(4-fluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697806
1-(2,6-difluoro-3-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697603
5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxamide
CID 168698605
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
1-(4-bromo-2-fluoro-6-nitrophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697641
1-(3-nitro-4-pyridinyl)piperidin-4-one
CID 28889589
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807

Frequently Asked Questions

What is the IUPAC name of 1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 168698038) is 1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2ccncc2[N+](=O)[O-])C1.
What is the InChIKey of 1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is AQLMIAOLNNOQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O4/c11-10(16)6-3-9(15)13(5-6)7-1-2-12-4-8(7)14(17)18/h1-2,4,6H,3,5H2,(H2,11,16).
What are the key properties of 1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 250.21 g/mol, XLogP of -0.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).