1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine

C13H20N4O3 — CID 115323328

IUPAC1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(c2nc(OC)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H20N4O3/c1-13(14-2)6-8-16(9-7-13)12-10(17(18)19)4-5-11(15-12)20-3/h4-5,14H,6-9H2,1-3H3
InChIKeyMWRQDWHGOUPVEE-UHFFFAOYSA-N
MW280.33 g/mol
LogP1.58
Rot. Bonds4

About 1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine

1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine (PubChem CID 115323328) 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)-N,4-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
PubChem CID115323328
Molecular FormulaC13H20N4O3
Molecular Weight280.33 g/mol
Exact Mass280.15
IUPAC Name1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
SMILESCNC1(C)CCN(c2nc(OC)ccc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H20N4O3/c1-13(14-2)6-8-16(9-7-13)12-10(17(18)19)4-5-11(15-12)20-3/h4-5,14H,6-9H2,1-3H3
InChIKeyMWRQDWHGOUPVEE-UHFFFAOYSA-N
XLogP1.58
TPSA80.53 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 ≤ 51.58
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

1-(6-methoxy-3-nitro-2-pyridinyl)-4-methylpiperidin-4-ol
CID 80703735
1-[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-4-yl]-N-methylmethanamine
CID 115323244
1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
1-(6-methoxy-3-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 2826405
1-(3-chloropropyl)-4-(6-methoxy-3-nitro-2-pyridinyl)piperazine
CID 110184367
[6-(4,4-dimethylpiperidin-1-yl)-5-nitro-2-pyridinyl]hydrazine
CID 80918944
6-[4-methyl-4-(methylamino)piperidin-1-yl]-3-nitropyridine-2-carbonitrile
CID 103472568
1-[4-(6-methoxy-3-nitro-2-pyridinyl)morpholin-2-yl]-N-methylmethanamine
CID 115323324
1-(5-bromo-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine
CID 115305468
6-methoxy-3-nitro-2-pyrrol-1-ylpyridine
CID 10560813
6-[4-(4-methoxyphenyl)phenoxy]-3-nitro-2-piperidin-1-ylpyridine
CID 141094686
[1-(6-methoxy-3-nitro-2-pyridinyl)piperidin-3-yl]methanamine
CID 115323231

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine?
The IUPAC name of 1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine (CID 115323328) is 1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine?
The canonical SMILES for 1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine is CNC1(C)CCN(c2nc(OC)ccc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine?
The InChIKey is MWRQDWHGOUPVEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O3/c1-13(14-2)6-8-16(9-7-13)12-10(17(18)19)4-5-11(15-12)20-3/h4-5,14H,6-9H2,1-3H3.
What are the key properties of 1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine?
1-(6-methoxy-3-nitro-2-pyridinyl)-N,4-dimethylpiperidin-4-amine has a molecular weight of 280.33 g/mol, XLogP of 1.58, 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)-N,4-dimethylpiperidin-4-amine is sourced from PubChem (CID 115323328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).