6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile

C13H16N4O2 — CID 103471198

IUPAC6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
SMILESCC1CCC(Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1
InChIInChI=1S/C13H16N4O2/c1-9-2-4-10(5-3-9)15-13-7-6-12(17(18)19)11(8-14)16-13/h6-7,9-10H,2-5H2,1H3,(H,15,16)
InChIKeyXHSUUMLUQBGNHA-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.85
Rot. Bonds3

About 6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile

6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile (PubChem CID 103471198) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
PubChem CID103471198
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
SMILESCC1CCC(Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1
InChIInChI=1S/C13H16N4O2/c1-9-2-4-10(5-3-9)15-13-7-6-12(17(18)19)11(8-14)16-13/h6-7,9-10H,2-5H2,1H3,(H,15,16)
InChIKeyXHSUUMLUQBGNHA-UHFFFAOYSA-N
XLogP2.85
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.85
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'}

Analyze 6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile 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

3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile
CID 103471477
6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile
CID 103578096
6-[(3,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471885
6-[(2,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471178
6-[(1,1-dioxothian-3-yl)amino]-3-nitropyridine-2-carbonitrile
CID 103471684
3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile
CID 103471906
5-[(4-methylcyclohexyl)amino]-2-nitrobenzonitrile
CID 104843749
6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103472216
6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471422
6-[3-(cyclopropylamino)propylamino]-3-nitropyridine-2-carbonitrile
CID 103472204
6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471316
2-N-(4-methylcyclohexyl)-3-nitro-6-N-propylpyridine-2,6-diamine
CID 80771612

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile (CID 103471198) is 6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile is CC1CCC(Nc2ccc([N+](=O)[O-])c(C#N)n2)CC1.
What is the InChIKey of 6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile?
The InChIKey is XHSUUMLUQBGNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-2-4-10(5-3-9)15-13-7-6-12(17(18)19)11(8-14)16-13/h6-7,9-10H,2-5H2,1H3,(H,15,16).
What are the key properties of 6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile?
6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103471198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).