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

C10H12N4O3 — CID 62094517

IUPAC3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O3/c15-10-8(2-1-4-12-10)13-7-3-5-11-6-9(7)14(16)17/h3,5-6,8H,1-2,4H2,(H,11,13)(H,12,15)
InChIKeyOXPCOZSBETUDQE-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.68
Rot. Bonds3

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

3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one (PubChem CID 62094517) has the molecular formula C10H12N4O3 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one.

Molecular Properties

Compound Name3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
PubChem CID62094517
Molecular FormulaC10H12N4O3
Molecular Weight236.23 g/mol
Exact Mass236.09
IUPAC Name3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
SMILESO=C1NCCCC1Nc1ccncc1[N+](=O)[O-]
InChIInChI=1S/C10H12N4O3/c15-10-8(2-1-4-12-10)13-7-3-5-11-6-9(7)14(16)17/h3,5-6,8H,1-2,4H2,(H,11,13)(H,12,15)
InChIKeyOXPCOZSBETUDQE-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

3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzaldehyde
CID 83105604
3-nitro-N-piperidin-4-ylpyridin-4-amine
CID 43167668
3-[(4-nitro-2,1,3-benzoxadiazol-7-yl)amino]piperidin-2-one
CID 62060382
3-[(8-nitroquinolin-5-yl)amino]piperidin-2-one
CID 62091958
N-methyl-3-nitro-4-[(2-oxopiperidin-3-yl)amino]benzamide
CID 78983634
3-nitro-N-(1-piperidin-3-ylethyl)pyridin-4-amine
CID 62045707
5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 63318938
4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine
CID 62318502
5-nitro-6-[(2-oxopiperidin-3-yl)amino]pyridine-3-carbonitrile
CID 103471557
3-(pyrimidin-4-ylamino)piperidin-2-one
CID 62093434
2-nitro-3-[(2-oxopiperidin-3-yl)amino]benzoic acid
CID 115542394
2-[(3-nitro-4-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 64815877

Frequently Asked Questions

What is the IUPAC name of 3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one?
The IUPAC name of 3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one (CID 62094517) is 3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one.
What is the SMILES notation for 3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one?
The canonical SMILES for 3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one is O=C1NCCCC1Nc1ccncc1[N+](=O)[O-].
What is the InChIKey of 3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one?
The InChIKey is OXPCOZSBETUDQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O3/c15-10-8(2-1-4-12-10)13-7-3-5-11-6-9(7)14(16)17/h3,5-6,8H,1-2,4H2,(H,11,13)(H,12,15).
What are the key properties of 3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one?
3-[(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 3-[(3-nitro-4-pyridinyl)amino]piperidin-2-one is sourced from PubChem (CID 62094517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).