2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane

C15H22N4O2 — CID 102850615

IUPAC2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane
SMILESCc1ccnc(N2CCCC3(CCCNC3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H22N4O2/c1-12-4-8-17-14(13(12)19(20)21)18-9-3-6-15(11-18)5-2-7-16-10-15/h4,8,16H,2-3,5-7,9-11H2,1H3
InChIKeyYKBXZMRCGIQBDH-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.27
Rot. Bonds2

About 2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane

2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane (PubChem CID 102850615) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane
PubChem CID102850615
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane
SMILESCc1ccnc(N2CCCC3(CCCNC3)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H22N4O2/c1-12-4-8-17-14(13(12)19(20)21)18-9-3-6-15(11-18)5-2-7-16-10-15/h4,8,16H,2-3,5-7,9-11H2,1H3
InChIKeyYKBXZMRCGIQBDH-UHFFFAOYSA-N
XLogP2.27
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 ≤ 52.27
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

2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane
CID 102850690
2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane
CID 102850610
2-[3-hydroxy-1-(4-methyl-3-nitro-2-pyridinyl)azetidin-3-yl]acetonitrile
CID 133497748
2-(4-iodo-2-nitrophenyl)-2,8-diazaspiro[5.5]undecane
CID 102850703
(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 95222078
2-[(5R)-2,9-diazaspiro[4.5]decan-2-yl]pyridine-3-carboxylic acid
CID 95228465
1-(4-methyl-3-nitro-2-pyridinyl)-4-(1H-1,2,4-triazol-5-yl)piperazine
CID 126823469
2-(5,6,7,8-tetrahydroquinazolin-4-yl)-2,8-diazaspiro[5.5]undecane
CID 102850496
1-(4-methyl-3-nitro-2-pyridinyl)-3-methylsulfanylazepane
CID 133394967
5-bromo-4-(2,8-diazaspiro[5.5]undecan-2-yl)-1H-pyrimidin-6-one
CID 136742763
2-[(4-nitrophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849321
4-(2,8-diazaspiro[5.5]undecan-2-yl)-5-iodo-1H-pyrimidin-6-one
CID 136742765

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane (CID 102850615) is 2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane is Cc1ccnc(N2CCCC3(CCCNC3)C2)c1[N+](=O)[O-].
What is the InChIKey of 2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane?
The InChIKey is YKBXZMRCGIQBDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-12-4-8-17-14(13(12)19(20)21)18-9-3-6-15(11-18)5-2-7-16-10-15/h4,8,16H,2-3,5-7,9-11H2,1H3.
What are the key properties of 2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane?
2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane has a molecular weight of 290.37 g/mol, XLogP of 2.27, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102850615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).