methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate

C12H16N4O4 — CID 115538245

IUPACmethyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C12H16N4O4/c1-20-12(17)9-4-2-3-7-15(9)10-6-5-8(16(18)19)11(13)14-10/h5-6,9H,2-4,7H2,1H3,(H2,13,14)
InChIKeyISQAJZXLGINWHS-UHFFFAOYSA-N
MW280.28 g/mol
LogP1.10
Rot. Bonds3

About methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate

methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate (PubChem CID 115538245) has the molecular formula C12H16N4O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate
PubChem CID115538245
Molecular FormulaC12H16N4O4
Molecular Weight280.28 g/mol
Exact Mass280.12
IUPAC Namemethyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate
SMILESCOC(=O)C1CCCCN1c1ccc([N+](=O)[O-])c(N)n1
InChIInChI=1S/C12H16N4O4/c1-20-12(17)9-4-2-3-7-15(9)10-6-5-8(16(18)19)11(13)14-10/h5-6,9H,2-4,7H2,1H3,(H2,13,14)
InChIKeyISQAJZXLGINWHS-UHFFFAOYSA-N
XLogP1.10
TPSA111.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate 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

1-(6-amino-5-nitro-2-pyridinyl)azepane-2-carboxylic acid
CID 79828132
[1-(6-amino-5-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636858
methyl 1-(2-methyl-6-nitrophenyl)piperidine-2-carboxylate
CID 115554053
1-(6-amino-5-nitro-2-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 79827817
4-(6-amino-5-nitro-2-pyridinyl)-N-methylmorpholine-3-carboxamide
CID 83105439
ethyl 1-(5-nitro-2-pyridinyl)piperidine-2-carboxylate
CID 115539350
1-(6-amino-5-nitro-2-pyridinyl)-N-methylpiperidine-3-carboxamide
CID 103198490
methyl 1-pyrimidin-4-ylpiperidine-2-carboxylate
CID 115538188
1-(6-amino-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79825655
methyl 1-(5,6-dichloro-2-pyridinyl)pyrrolidine-2-carboxylate
CID 146387890
methyl (2S)-1-(2,4-dinitrophenyl)pyrrolidine-2-carboxylate
CID 12826384
methyl 1-(6-methoxy-2-methylpyrimidin-4-yl)piperidine-2-carboxylate
CID 115538357

Frequently Asked Questions

What is the IUPAC name of methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate?
The IUPAC name of methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate (CID 115538245) is methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate.
What is the SMILES notation for methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate?
The canonical SMILES for methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate is COC(=O)C1CCCCN1c1ccc([N+](=O)[O-])c(N)n1.
What is the InChIKey of methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate?
The InChIKey is ISQAJZXLGINWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O4/c1-20-12(17)9-4-2-3-7-15(9)10-6-5-8(16(18)19)11(13)14-10/h5-6,9H,2-4,7H2,1H3,(H2,13,14).
What are the key properties of methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate?
methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate has a molecular weight of 280.28 g/mol, XLogP of 1.10, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(6-amino-5-nitro-2-pyridinyl)piperidine-2-carboxylate is sourced from PubChem (CID 115538245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).