6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile

C15H20N4O2 — CID 103471316

IUPAC6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
SMILESCCC1CCC(CNc2ccc([N+](=O)[O-])c(C#N)n2)CC1
InChIInChI=1S/C15H20N4O2/c1-2-11-3-5-12(6-4-11)10-17-15-8-7-14(19(20)21)13(9-16)18-15/h7-8,11-12H,2-6,10H2,1H3,(H,17,18)
InChIKeyKZFDPLSVRJPWOP-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.49
Rot. Bonds5

About 6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile

6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile (PubChem CID 103471316) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
PubChem CID103471316
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
SMILESCCC1CCC(CNc2ccc([N+](=O)[O-])c(C#N)n2)CC1
InChIInChI=1S/C15H20N4O2/c1-2-11-3-5-12(6-4-11)10-17-15-8-7-14(19(20)21)13(9-16)18-15/h7-8,11-12H,2-6,10H2,1H3,(H,17,18)
InChIKeyKZFDPLSVRJPWOP-UHFFFAOYSA-N
XLogP3.49
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
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

3-nitro-6-(pyrrolidin-3-ylmethylamino)pyridine-2-carbonitrile
CID 103472537
6-[(3-hydroxycyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile
CID 103578031
6-(1-cyclopropylbutan-2-ylamino)-3-nitropyridine-2-carbonitrile
CID 103471695
3-nitro-6-[(4-propylcyclohexyl)amino]pyridine-2-carbonitrile
CID 103471477
3-nitro-6-(oxan-2-ylmethylamino)pyridine-2-carbonitrile
CID 103471500
6-[2-[cyclopropyl(ethyl)amino]ethylamino]-3-nitropyridine-2-carbonitrile
CID 103578006
6-[(2-ethylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471422
4-[(4-ethylcyclohexyl)methylamino]-3-nitrobenzonitrile
CID 63540842
6-[3-(cyclopropylamino)propylamino]-3-nitropyridine-2-carbonitrile
CID 103472204
6-[(2-amino-2-ethylbutyl)amino]-3-nitropyridine-2-carbonitrile
CID 103472571
6-(morpholin-2-ylmethylamino)-3-nitropyridine-2-carbonitrile
CID 103472615
6-[(4-methylcyclohexyl)amino]-3-nitropyridine-2-carbonitrile
CID 103471198

Frequently Asked Questions

What is the IUPAC name of 6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile?
The IUPAC name of 6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile (CID 103471316) is 6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile.
What is the SMILES notation for 6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile?
The canonical SMILES for 6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile is CCC1CCC(CNc2ccc([N+](=O)[O-])c(C#N)n2)CC1.
What is the InChIKey of 6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile?
The InChIKey is KZFDPLSVRJPWOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-2-11-3-5-12(6-4-11)10-17-15-8-7-14(19(20)21)13(9-16)18-15/h7-8,11-12H,2-6,10H2,1H3,(H,17,18).
What are the key properties of 6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile?
6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile has a molecular weight of 288.35 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-ethylcyclohexyl)methylamino]-3-nitropyridine-2-carbonitrile is sourced from PubChem (CID 103471316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).