2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol

C12H18N4O3 — CID 80827369

IUPAC2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCNc1ccc([N+](=O)[O-])c(NC2CCCCC2O)n1
InChIInChI=1S/C12H18N4O3/c1-13-11-7-6-9(16(18)19)12(15-11)14-8-4-2-3-5-10(8)17/h6-8,10,17H,2-5H2,1H3,(H2,13,14,15)
InChIKeyBDFNIFOGXCJVQS-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.75
Rot. Bonds4

About 2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol

2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol (PubChem CID 80827369) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol
PubChem CID80827369
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC Name2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol
SMILESCNc1ccc([N+](=O)[O-])c(NC2CCCCC2O)n1
InChIInChI=1S/C12H18N4O3/c1-13-11-7-6-9(16(18)19)12(15-11)14-8-4-2-3-5-10(8)17/h6-8,10,17H,2-5H2,1H3,(H2,13,14,15)
InChIKeyBDFNIFOGXCJVQS-UHFFFAOYSA-N
XLogP1.75
TPSA100.32 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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-[(6-amino-3-nitro-2-pyridinyl)amino]cyclohexan-1-ol
CID 80827019
2-[(6-chloro-3-nitro-2-pyridinyl)amino]cycloheptan-1-ol
CID 113394870
6-hydrazinyl-N-(2-methylcyclohexyl)-3-nitropyridin-2-amine
CID 80943738
2-N-(2-cyclopentylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80790451
2-N-(2-cyclohexylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80791889
3-[[[6-(methylamino)-3-nitro-2-pyridinyl]amino]methyl]cyclohexan-1-ol
CID 106138420
5-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]piperidin-2-one
CID 80834232
6-hydrazinyl-N-(2-methylsulfanylcyclopentyl)-3-nitropyridin-2-amine
CID 114122174
2-N-(2-cyclopropylethyl)-6-N-methyl-3-nitropyridine-2,6-diamine
CID 80846872
2-N-cyclooctyl-6-N-ethyl-3-nitropyridine-2,6-diamine
CID 80771600
2-N-cyclopentyl-2-N,6-N-dimethyl-3-nitropyridine-2,6-diamine
CID 80774638
6-N-methyl-3-nitro-2-N-[1-(trifluoromethyl)cyclopropyl]pyridine-2,6-diamine
CID 106219538

Frequently Asked Questions

What is the IUPAC name of 2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol (CID 80827369) is 2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol is CNc1ccc([N+](=O)[O-])c(NC2CCCCC2O)n1.
What is the InChIKey of 2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol?
The InChIKey is BDFNIFOGXCJVQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-13-11-7-6-9(16(18)19)12(15-11)14-8-4-2-3-5-10(8)17/h6-8,10,17H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of 2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol?
2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol has a molecular weight of 266.30 g/mol, XLogP of 1.75, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(methylamino)-3-nitro-2-pyridinyl]amino]cyclohexan-1-ol is sourced from PubChem (CID 80827369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).