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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Related Compounds

1-(4-iodo-2-nitrophenyl)-1,4-diazaspiro[5.5]undecane
CID 66082499
3,5-dimethyl-1-(6-methyl-3-nitro-2-pyridinyl)piperazine
CID 81132745
5-nitro-6-piperazin-1-ylpyridin-2-amine
CID 80837104
(4aS,7aS)-6-(6-methyl-3-nitro-2-pyridinyl)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridine
CID 102683949
6-methyl-2-(3-methylpyrazol-1-yl)-3-nitropyridine
CID 81136870
1-(6-methoxy-3-nitro-2-pyridinyl)-1,4-diazepane
CID 113286359
6-methyl-3-nitro-N-piperidin-1-ylpyridin-2-amine
CID 81333831
[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-4-yl]methanamine
CID 81135913
1-(6-methyl-5-nitro-2-pyridinyl)-1,4-diazepane
CID 79021358
4-(6-chloro-3-nitro-2-pyridinyl)-3,3-dimethylpiperazin-2-one
CID 63608150
1-[1-(6-methyl-3-nitro-2-pyridinyl)piperidin-2-yl]ethanamine
CID 81136189
1-[(4-methoxy-3-nitrophenyl)methyl]-1,4-diazaspiro[5.5]undecane;hydrochloride
CID 119933342

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).