5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one

C11H15N5O3 — CID 80834232

IUPAC5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one
SMILESCNc1ccc([N+](=O)[O-])c(NC2CCC(=O)NC2)n1
InChIInChI=1S/C11H15N5O3/c1-12-9-4-3-8(16(18)19)11(15-9)14-7-2-5-10(17)13-6-7/h3-4,7H,2,5-6H2,1H3,(H,13,17)(H2,12,14,15)
InChIKeyHLJQEVRLERNVIE-UHFFFAOYSA-N
MW265.27 g/mol
LogP0.72
Rot. Bonds4

About 5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one

5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one (PubChem CID 80834232) has the molecular formula C11H15N5O3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one.

Molecular Properties

Compound Name5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one
PubChem CID80834232
Molecular FormulaC11H15N5O3
Molecular Weight265.27 g/mol
Exact Mass265.12
IUPAC Name5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one
SMILESCNc1ccc([N+](=O)[O-])c(NC2CCC(=O)NC2)n1
InChIInChI=1S/C11H15N5O3/c1-12-9-4-3-8(16(18)19)11(15-9)14-7-2-5-10(17)13-6-7/h3-4,7H,2,5-6H2,1H3,(H,13,17)(H2,12,14,15)
InChIKeyHLJQEVRLERNVIE-UHFFFAOYSA-N
XLogP0.72
TPSA109.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 50.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]pyrrolidin-2-one
CID 106198856
2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol
CID 80827369
5-[(3-nitro-4-pyridinyl)amino]piperidin-2-one
CID 63318938
(5R)-5-[(4-methyl-5-nitro-2-pyridinyl)amino]piperidin-2-one
CID 95904705
5-(5-bromo-2-nitroanilino)piperidin-2-one
CID 65343295
2-nitro-5-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661251
5-[(5-nitroisoquinolin-8-yl)amino]piperidin-2-one
CID 103141706
5-[(6-hydrazinyl-3-nitro-2-pyridinyl)amino]-1-methylpiperidin-2-one
CID 80915009
2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80846872
5-[[5-ethyl-6-(methylamino)pyrimidin-4-yl]amino]piperidin-2-one
CID 80834053
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
3-nitro-4-[(6-oxopiperidin-3-yl)amino]benzoic acid
CID 63661070

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one?
The IUPAC name of 5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one (CID 80834232) is 5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one.
What is the SMILES notation for 5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one?
The canonical SMILES for 5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one is CNc1ccc([N+](=O)[O-])c(NC2CCC(=O)NC2)n1.
What is the InChIKey of 5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one?
The InChIKey is HLJQEVRLERNVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O3/c1-12-9-4-3-8(16(18)19)11(15-9)14-7-2-5-10(17)13-6-7/h3-4,7H,2,5-6H2,1H3,(H,13,17)(H2,12,14,15).
What are the key properties of 5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one?
5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one has a molecular weight of 265.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one is sourced from PubChem (CID 80834232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).