6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one

C11H15N3O3 — CID 67312494

IUPAC6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one
SMILESO=c1ccc([N+](=O)[O-])c(NC2CCCCC2)[nH]1
InChIInChI=1S/C11H15N3O3/c15-10-7-6-9(14(16)17)11(13-10)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,15)
InChIKeyJLVGDKPRBBQLJQ-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.03
Rot. Bonds3

About 6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one

6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one (PubChem CID 67312494) has the molecular formula C11H15N3O3 and a molecular weight of 237.26 g/mol. Its IUPAC name is 6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one
PubChem CID67312494
Molecular FormulaC11H15N3O3
Molecular Weight237.26 g/mol
Exact Mass237.11
IUPAC Name6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one
SMILESO=c1ccc([N+](=O)[O-])c(NC2CCCCC2)[nH]1
InChIInChI=1S/C11H15N3O3/c15-10-7-6-9(14(16)17)11(13-10)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,15)
InChIKeyJLVGDKPRBBQLJQ-UHFFFAOYSA-N
XLogP2.03
TPSA88.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

5-nitro-6-(thian-4-ylamino)-1H-pyridin-2-one
CID 67312628
6-[[(1R,2S)-2-methylcyclohexyl]amino]-5-nitro-1H-pyridin-2-one
CID 124567010
6-(2-cyclopropylanilino)-5-nitro-1H-pyridin-2-one
CID 67312865
N-(5-chloro-2-nitrophenyl)cycloheptanamine
CID 22922481
N-(3-bromo-4-nitrophenyl)cycloheptanamine
CID 82864215
6-chloro-N-cyclohexyl-3-nitropyridin-2-amine
CID 43152693
6-N-cycloheptyl-3-nitropyridine-2,6-diamine
CID 79826518
N-cyclopentyl-5-fluoro-2-nitroaniline
CID 62376758
N-(2,4-dinitrophenyl)cycloheptanamine
CID 9283016
6-(cycloheptylamino)-5-nitro-1,3-dihydroindol-2-one
CID 43451829
N-cyclohexyl-4-fluoro-2-nitroaniline
CID 12793832
N-cyclopentyl-6-methyl-5-nitropyridin-2-amine
CID 80718825

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one?
The IUPAC name of 6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one (CID 67312494) is 6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one.
What is the SMILES notation for 6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one?
The canonical SMILES for 6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one is O=c1ccc([N+](=O)[O-])c(NC2CCCCC2)[nH]1.
What is the InChIKey of 6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one?
The InChIKey is JLVGDKPRBBQLJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O3/c15-10-7-6-9(14(16)17)11(13-10)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,12,13,15).
What are the key properties of 6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one?
6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one has a molecular weight of 237.26 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexylamino)-5-nitro-1H-pyridin-2-one is sourced from PubChem (CID 67312494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).