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

C11H11N3O3 — CID 168698152

IUPAC1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cnccc2C=O)C1
InChIInChI=1S/C11H11N3O3/c12-11(17)8-3-10(16)14(5-8)9-4-13-2-1-7(9)6-15/h1-2,4,6,8H,3,5H2,(H2,12,17)
InChIKeyDPQRTOKTSGKVDG-UHFFFAOYSA-N
MW233.23 g/mol
LogP-0.27
Rot. Bonds3

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

1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (PubChem CID 168698152) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
PubChem CID168698152
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
SMILESNC(=O)C1CC(=O)N(c2cnccc2C=O)C1
InChIInChI=1S/C11H11N3O3/c12-11(17)8-3-10(16)14(5-8)9-4-13-2-1-7(9)6-15/h1-2,4,6,8H,3,5H2,(H2,12,17)
InChIKeyDPQRTOKTSGKVDG-UHFFFAOYSA-N
XLogP-0.27
TPSA93.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-oxo-1-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-3-carboxamide
CID 168698147
1-(3-nitro-4-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698038
5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxamide
CID 168698605
(3R)-1-(4-amino-2-ethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 100804799
1-(2-bromo-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 168698437
(3S)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 42579807
1-(1,3-oxazol-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698612
5-oxo-1-quinolin-8-ylpyrrolidine-3-carboxamide
CID 168698201
1-(5-bromopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168698124
1-(2-methylsulfonylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696654
1-(4-aminophenyl)-5-oxopyrrolidine-3-carboxamide
CID 168697847
1-[2-(aminomethyl)phenyl]-5-oxopyrrolidine-3-carboxamide
CID 168697394

Frequently Asked Questions

What is the IUPAC name of 1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide (CID 168698152) is 1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is NC(=O)C1CC(=O)N(c2cnccc2C=O)C1.
What is the InChIKey of 1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
The InChIKey is DPQRTOKTSGKVDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c12-11(17)8-3-10(16)14(5-8)9-4-13-2-1-7(9)6-15/h1-2,4,6,8H,3,5H2,(H2,12,17).
What are the key properties of 1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide?
1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide has a molecular weight of 233.23 g/mol, XLogP of -0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-formyl-3-pyridinyl)-5-oxopyrrolidine-3-carboxamide is sourced from PubChem (CID 168698152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).