5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one

C11H16N6O3 — CID 80915009

IUPAC5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2nc(NN)ccc2[N+](=O)[O-])CCC1=O
InChIInChI=1S/C11H16N6O3/c1-16-6-7(2-5-10(16)18)13-11-8(17(19)20)3-4-9(14-11)15-12/h3-4,7H,2,5-6,12H2,1H3,(H2,13,14,15)
InChIKeyRRRLXYQOVGMUAM-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.31
Rot. Bonds4

About 5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one

5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one (PubChem CID 80915009) has the molecular formula C11H16N6O3 and a molecular weight of 280.29 g/mol. Its IUPAC name is 5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one.

Molecular Properties

Compound Name5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
PubChem CID80915009
Molecular FormulaC11H16N6O3
Molecular Weight280.29 g/mol
Exact Mass280.13
IUPAC Name5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
SMILESCN1CC(Nc2nc(NN)ccc2[N+](=O)[O-])CCC1=O
InChIInChI=1S/C11H16N6O3/c1-16-6-7(2-5-10(16)18)13-11-8(17(19)20)3-4-9(14-11)15-12/h3-4,7H,2,5-6,12H2,1H3,(H2,13,14,15)
InChIKeyRRRLXYQOVGMUAM-UHFFFAOYSA-N
XLogP0.31
TPSA126.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[(6-chloro-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 64669439
N-(3,3-dimethylcyclopentyl)-6-hydrazinyl-3-nitropyridin-2-amine
CID 114542334
4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one
CID 106198856
6-hydrazinyl-N-(2-methylcyclohexyl)-3-nitropyridin-2-amine
CID 80943738
1-methyl-5-(4-methyl-2-nitroanilino)piperidin-2-one
CID 64667803
5-[(5-bromo-2-hydrazinylpyrimidin-4-yl)amino]-1-methylpiperidin-2-one
CID 80915090
6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine
CID 114122174
5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one
CID 80834232
4-[(1-methyl-6-oxopiperidin-3-yl)amino]-3-nitrobenzamide
CID 64669798
5-(3-ethoxy-4-nitroanilino)-1-methylpiperidin-2-one
CID 64667397
5-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]-1-methylpiperidin-2-one
CID 80826875
N-ethyl-6-hydrazinyl-3-nitropyridin-2-amine
CID 80932567

Frequently Asked Questions

What is the IUPAC name of 5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The IUPAC name of 5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one (CID 80915009) is 5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one.
What is the SMILES notation for 5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The canonical SMILES for 5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one is CN1CC(Nc2nc(NN)ccc2[N+](=O)[O-])CCC1=O.
What is the InChIKey of 5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
The InChIKey is RRRLXYQOVGMUAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O3/c1-16-6-7(2-5-10(16)18)13-11-8(17(19)20)3-4-9(14-11)15-12/h3-4,7H,2,5-6,12H2,1H3,(H2,13,14,15).
What are the key properties of 5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one?
5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one has a molecular weight of 280.29 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one is sourced from PubChem (CID 80915009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).