6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile

C14H18N4O2 — CID 103471422

IUPAC6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
SMILESCCC1CCCCC1Nc1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C14H18N4O2/c1-2-10-5-3-4-6-11(10)16-14-8-7-13(18(19)20)12(9-15)17-14/h7-8,10-11H,2-6H2,1H3,(H,16,17)
InChIKeyPMKWLIQDUOVWHK-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.24
Rot. Bonds4

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

6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile (PubChem CID 103471422) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
PubChem CID103471422
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
SMILESCCC1CCCCC1Nc1ccc([N+](=O)[O-])c(C#N)n1
InChIInChI=1S/C14H18N4O2/c1-2-10-5-3-4-6-11(10)16-14-8-7-13(18(19)20)12(9-15)17-14/h7-8,10-11H,2-6H2,1H3,(H,16,17)
InChIKeyPMKWLIQDUOVWHK-UHFFFAOYSA-N
XLogP3.24
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 53.24
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
3-nitro-6-[(2-propan-2-ylcyclohexyl)amino]pyridine-2-carbonitrile
CID 103471906
6-[(2,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471178
3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile
CID 103471477
6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471198
6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103471316
N-(2-ethylcyclohexyl)-6-methoxy-3-nitropyridin-2-amine
CID 115321476
6-[(3,3-dimethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471885
6-(1-cyclopropylbutan-2-ylamino)-3-nitropyridine-2-carbonitrile
CID 103471695
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-(oxan-2-ylmethylamino)pyridine-2-carbonitrile
CID 103471500

Frequently Asked Questions

What is the IUPAC name of 6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile (CID 103471422) is 6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile is CCC1CCCCC1Nc1ccc([N+](=O)[O-])c(C#N)n1.
What is the InChIKey of 6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile?
The InChIKey is PMKWLIQDUOVWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-2-10-5-3-4-6-11(10)16-14-8-7-13(18(19)20)12(9-15)17-14/h7-8,10-11H,2-6H2,1H3,(H,16,17).
What are the key properties of 6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile?
6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile has a molecular weight of 274.32 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103471422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).