3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine

C12H20N6 — CID 90084301

IUPAC3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine
SMILES[H]/N=N/c1ccc(N2CCC(N(C)C)CC2)nc1N
InChIInChI=1S/C12H20N6/c1-17(2)9-5-7-18(8-6-9)11-4-3-10(16-14)12(13)15-11/h3-4,9,14H,5-8H2,1-2H3,(H2,13,15)/b16-14+
InChIKeyIEAGFLHRVCPYSL-JQIJEIRASA-N
MW248.33 g/mol
LogP1.86
Rot. Bonds3

About 3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine

3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine (PubChem CID 90084301) has the molecular formula C12H20N6 and a molecular weight of 248.33 g/mol. Its IUPAC name is 3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine.

Molecular Properties

Compound Name3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine
PubChem CID90084301
Molecular FormulaC12H20N6
Molecular Weight248.33 g/mol
Exact Mass248.17
IUPAC Name3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine
SMILES[H]/N=N/c1ccc(N2CCC(N(C)C)CC2)nc1N
InChIInChI=1S/C12H20N6/c1-17(2)9-5-7-18(8-6-9)11-4-3-10(16-14)12(13)15-11/h3-4,9,14H,5-8H2,1-2H3,(H2,13,15)/b16-14+
InChIKeyIEAGFLHRVCPYSL-JQIJEIRASA-N
XLogP1.86
TPSA81.60 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine?
The IUPAC name of 3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine (CID 90084301) is 3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine.
What is the SMILES notation for 3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine?
The canonical SMILES for 3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine is [H]/N=N/c1ccc(N2CCC(N(C)C)CC2)nc1N.
What is the InChIKey of 3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine?
The InChIKey is IEAGFLHRVCPYSL-JQIJEIRASA-N. The full InChI is InChI=1S/C12H20N6/c1-17(2)9-5-7-18(8-6-9)11-4-3-10(16-14)12(13)15-11/h3-4,9,14H,5-8H2,1-2H3,(H2,13,15)/b16-14+.
What are the key properties of 3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine?
3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine has a molecular weight of 248.33 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-diazenyl-6-[4-(dimethylamino)piperidin-1-yl]pyridin-2-amine is sourced from PubChem (CID 90084301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).