N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine

C13H20N4O2 — CID 83026251

IUPACN-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine
SMILESCc1ccnc(NN2C(C)CCCC2C)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O2/c1-9-7-8-14-13(12(9)17(18)19)15-16-10(2)5-4-6-11(16)3/h7-8,10-11H,4-6H2,1-3H3,(H,14,15)
InChIKeyWSDCVCNWEIGVKW-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.89
Rot. Bonds3

About N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine

N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine (PubChem CID 83026251) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine.

Molecular Properties

Compound NameN-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine
PubChem CID83026251
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC NameN-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine
SMILESCc1ccnc(NN2C(C)CCCC2C)c1[N+](=O)[O-]
InChIInChI=1S/C13H20N4O2/c1-9-7-8-14-13(12(9)17(18)19)15-16-10(2)5-4-6-11(16)3/h7-8,10-11H,4-6H2,1-3H3,(H,14,15)
InChIKeyWSDCVCNWEIGVKW-UHFFFAOYSA-N
XLogP2.89
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine?
The IUPAC name of N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine (CID 83026251) is N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine.
What is the SMILES notation for N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine?
The canonical SMILES for N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine is Cc1ccnc(NN2C(C)CCCC2C)c1[N+](=O)[O-].
What is the InChIKey of N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine?
The InChIKey is WSDCVCNWEIGVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9-7-8-14-13(12(9)17(18)19)15-16-10(2)5-4-6-11(16)3/h7-8,10-11H,4-6H2,1-3H3,(H,14,15).
What are the key properties of N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine?
N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylpiperidin-1-yl)-4-methyl-3-nitropyridin-2-amine is sourced from PubChem (CID 83026251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).