5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one

C10H12N4O3 — CID 63318938

IUPAC5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
SMILESO=C1CCC(Nc2ccncc2[N+](=O)[O-])CN1
InChIInChI=1S/C10H12N4O3/c15-10-2-1-7(5-12-10)13-8-3-4-11-6-9(8)14(16)17/h3-4,6-7H,1-2,5H2,(H,11,13)(H,12,15)
InChIKeyLAVVIFFWTABQND-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.68
Rot. Bonds3

About 5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one

5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one (PubChem CID 63318938) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
PubChem CID63318938
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
SMILESO=C1CCC(Nc2ccncc2[N+](=O)[O-])CN1
InChIInChI=1S/C10H12N4O3/c15-10-2-1-7(5-12-10)13-8-3-4-11-6-9(8)14(16)17/h3-4,6-7H,1-2,5H2,(H,11,13)(H,12,15)
InChIKeyLAVVIFFWTABQND-UHFFFAOYSA-N
XLogP0.68
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.68
H-Bond Donors ≤ 52
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

5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one
CID 103141706
3-nitro-N-piperidin-4-ylpyridin-4-amine
CID 43167668
3-nitro-4-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661070
5-(5-bromo-2-nitroanilino)piperidin-2-one
CID 65343295
4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine
CID 62318502
3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 62094517
(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one
CID 95904705
5-(2-chloro-4-nitroanilino)piperidin-2-one
CID 62490251
5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one
CID 80834232
methyl 4-[(3-nitro-4-pyridinyl)amino]piperidine-1-carboxylate
CID 59465527
5-nitro-2-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661956
2-nitro-5-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661251

Frequently Asked Questions

What is the IUPAC name of 5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one?
The IUPAC name of 5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one (CID 63318938) is 5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one?
The canonical SMILES for 5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one is O=C1CCC(Nc2ccncc2[N+](=O)[O-])CN1.
What is the InChIKey of 5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one?
The InChIKey is LAVVIFFWTABQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c15-10-2-1-7(5-12-10)13-8-3-4-11-6-9(8)14(16)17/h3-4,6-7H,1-2,5H2,(H,11,13)(H,12,15).
What are the key properties of 5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one?
5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one has a molecular weight of 236.23 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one is sourced from PubChem (CID 63318938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).