4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine

C11H16N4O2 — CID 22591412

IUPAC4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H16N4O2/c12-8-3-5-9(6-4-8)14-11-10(15(16)17)2-1-7-13-11/h1-2,7-9H,3-6,12H2,(H,13,14)
InChIKeyGYJHRMMXWORSNJ-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.67
Rot. Bonds3

About 4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine

4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine (PubChem CID 22591412) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
PubChem CID22591412
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
SMILESNC1CCC(Nc2ncccc2[N+](=O)[O-])CC1
InChIInChI=1S/C11H16N4O2/c12-8-3-5-9(6-4-8)14-11-10(15(16)17)2-1-7-13-11/h1-2,7-9H,3-6,12H2,(H,13,14)
InChIKeyGYJHRMMXWORSNJ-UHFFFAOYSA-N
XLogP1.67
TPSA94.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.67
H-Bond Donors ≤ 52
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'}

Analyze 4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-cyclopropyl-3-nitropyridin-2-amine;hydrochloride
CID 133059151
N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine
CID 63870698
2-N-(3-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 54904971
3-nitro-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635600
N-(1-methylsulfonylpiperidin-4-yl)-3-nitropyridin-2-amine
CID 18288213
3-nitro-N-[(3S)-piperidin-3-yl]pyridin-2-amine;hydrochloride
CID 71635602
N-(2-methylcyclopropyl)-3-nitropyridin-2-amine
CID 62396767
(3-nitro-2-pyridinyl)hydrazine
CID 3578935
cyclohexyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]methanone
CID 47053881
N-(1-cyclopropyl-5-methylpyrrolidin-3-yl)-3-nitropyridin-2-amine
CID 133347869
N-(2,2-dimethylcyclopropyl)-3-nitropyridin-2-amine
CID 61223122
(4-aminopiperidin-1-yl)-methylborinic acid;2-chloro-3-nitropyridine;N,N-diethylethanamine;methyl-[4-[(3-nitro-2-pyridinyl)amino]piperidin-1-yl]borinic acid
CID 159751356

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine (CID 22591412) is 4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine is NC1CCC(Nc2ncccc2[N+](=O)[O-])CC1.
What is the InChIKey of 4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine?
The InChIKey is GYJHRMMXWORSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c12-8-3-5-9(6-4-8)14-11-10(15(16)17)2-1-7-13-11/h1-2,7-9H,3-6,12H2,(H,13,14).
What are the key properties of 4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine?
4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine has a molecular weight of 236.27 g/mol, XLogP of 1.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine is sourced from PubChem (CID 22591412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).