[1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine

C13H20N4O3 — CID 103442387

IUPAC[1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine
SMILESCOc1ccc([N+](=O)[O-])c(N2CCC(C)CC2CN)n1
InChIInChI=1S/C13H20N4O3/c1-9-5-6-16(10(7-9)8-14)13-11(17(18)19)3-4-12(15-13)20-2/h3-4,9-10H,5-8,14H2,1-2H3
InChIKeyZPBALPMIBWNVLN-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.56
Rot. Bonds4

About [1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine

[1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine (PubChem CID 103442387) has the molecular formula C13H20N4O3 and a molecular weight of 280.33 g/mol. Its IUPAC name is [1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine
PubChem CID103442387
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name[1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine
SMILESCOc1ccc([N+](=O)[O-])c(N2CCC(C)CC2CN)n1
InChIInChI=1S/C13H20N4O3/c1-9-5-6-16(10(7-9)8-14)13-11(17(18)19)3-4-12(15-13)20-2/h3-4,9-10H,5-8,14H2,1-2H3
InChIKeyZPBALPMIBWNVLN-UHFFFAOYSA-N
XLogP1.56
TPSA94.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 51.56
H-Bond Donors ≤ 51
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'}

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Related Compounds

[4-methyl-1-(6-methyl-5-nitro-2-pyridinyl)piperidin-2-yl]methanamine
CID 103442243
[4-methyl-1-(1-methyl-4-nitropyrazol-3-yl)piperidin-2-yl]methanamine
CID 103442244
[1-(6-methoxy-3-nitro-2-pyridinyl)azepan-2-yl]methanol
CID 116636978
[4-methyl-1-(5-methyl-2-nitrophenyl)piperidin-2-yl]methanamine
CID 103442230
[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine
CID 115323231
[4-methyl-1-(4-methyl-3-nitrophenyl)piperidin-2-yl]methanamine
CID 103442256
3-[2-(aminomethyl)-4-methylpiperidin-1-yl]-4-nitrobenzamide
CID 103442356
1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 2826405
1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
CID 115323244
(2R,5S)-4-(6-methoxy-3-nitro-2-pyridinyl)-2,5-dimethylpiperazine-1-carboxylic acid
CID 170154877
1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
6-methoxy-3-nitro-2-pyrrol-1-ylpyridine
CID 10560813

Frequently Asked Questions

What is the IUPAC name of [1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine (CID 103442387) is [1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine is COc1ccc([N+](=O)[O-])c(N2CCC(C)CC2CN)n1.
What is the InChIKey of [1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine?
The InChIKey is ZPBALPMIBWNVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-9-5-6-16(10(7-9)8-14)13-11(17(18)19)3-4-12(15-13)20-2/h3-4,9-10H,5-8,14H2,1-2H3.
What are the key properties of [1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine?
[1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine has a molecular weight of 280.33 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103442387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).