1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane

C15H22N4O2 — CID 81139672

IUPAC1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane
SMILESCc1ccc([N+](=O)[O-])c(N2CCNCC23CCCCC3)n1
InChIInChI=1S/C15H22N4O2/c1-12-5-6-13(19(20)21)14(17-12)18-10-9-16-11-15(18)7-3-2-4-8-15/h5-6,16H,2-4,7-11H2,1H3
InChIKeyNZEWINCAKVLSIE-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.41
Rot. Bonds2

About 1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane

1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane (PubChem CID 81139672) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane
PubChem CID81139672
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane
SMILESCc1ccc([N+](=O)[O-])c(N2CCNCC23CCCCC3)n1
InChIInChI=1S/C15H22N4O2/c1-12-5-6-13(19(20)21)14(17-12)18-10-9-16-11-15(18)7-3-2-4-8-15/h5-6,16H,2-4,7-11H2,1H3
InChIKeyNZEWINCAKVLSIE-UHFFFAOYSA-N
XLogP2.41
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.41
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 1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane (CID 81139672) is 1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane is Cc1ccc([N+](=O)[O-])c(N2CCNCC23CCCCC3)n1.
What is the InChIKey of 1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is NZEWINCAKVLSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12-5-6-13(19(20)21)14(17-12)18-10-9-16-11-15(18)7-3-2-4-8-15/h5-6,16H,2-4,7-11H2,1H3.
What are the key properties of 1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane?
1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 290.37 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-3-nitro-2-pyridinyl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 81139672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).