3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile

C15H20N4O2 — CID 103471906

IUPAC3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile
SMILESCC(C)C1CCCCC1Nc1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C15H20N4O2/c1-10(2)11-5-3-4-6-12(11)17-15-8-7-14(19(20)21)13(9-16)18-15/h7-8,10-12H,3-6H2,1-2H3,(H,17,18)
InChIKeyBHMSXLHFINYDDI-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.49
Rot. Bonds4

About 3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile

3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile (PubChem CID 103471906) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile
PubChem CID103471906
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile
SMILESCC(C)C1CCCCC1Nc1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C15H20N4O2/c1-10(2)11-5-3-4-6-12(11)17-15-8-7-14(19(20)21)13(9-16)18-15/h7-8,10-12H,3-6H2,1-2H3,(H,17,18)
InChIKeyBHMSXLHFINYDDI-UHFFFAOYSA-N
XLogP3.49
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.49
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

6-[(2-aminocyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103472216
6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471422
6-[(2,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471178
6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471198
6-[(3,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471885
6-[(3-methoxycyclobutyl)amino]-3-nitropyridine-2-carbonitrile
CID 103578096
6-[(1,1-dioxothian-3-yl)amino]-3-nitropyridine-2-carbonitrile
CID 103471684
3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile
CID 103471477
3-nitro-6-[1-(oxolan-3-yl)ethylamino]pyridine-2-carbonitrile
CID 103472104
6-(3,3-dimethylbutan-2-ylamino)-3-nitropyridine-2-carbonitrile
CID 103472001
6-(1-cyclopropylbutan-2-ylamino)-3-nitropyridine-2-carbonitrile
CID 103471695
6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471316

Frequently Asked Questions

What is the IUPAC name of 3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile?
The IUPAC name of 3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile (CID 103471906) is 3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile.
What is the SMILES notation for 3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile?
The canonical SMILES for 3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile is CC(C)C1CCCCC1Nc1ccc([N+](=O)[O-])c(C#N)n1.
What is the InChIKey of 3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile?
The InChIKey is BHMSXLHFINYDDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-10(2)11-5-3-4-6-12(11)17-15-8-7-14(19(20)21)13(9-16)18-15/h7-8,10-12H,3-6H2,1-2H3,(H,17,18).
What are the key properties of 3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile?
3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile is sourced from PubChem (CID 103471906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).