2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile

C14H18N4O3 — CID 62198247

IUPAC2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])cnc1NCCOC1CCCCC1
InChIInChI=1S/C14H18N4O3/c15-9-11-8-12(18(19)20)10-17-14(11)16-6-7-21-13-4-2-1-3-5-13/h8,10,13H,1-7H2,(H,16,17)
InChIKeyCSFYXGQSFKINBL-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.62
Rot. Bonds6

About 2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile

2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile (PubChem CID 62198247) has the molecular formula C14H18N4O3 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile
PubChem CID62198247
Molecular FormulaC14H18N4O3
Molecular Weight290.32 g/mol
Exact Mass290.14
IUPAC Name2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cc([N+](=O)[O-])cnc1NCCOC1CCCCC1
InChIInChI=1S/C14H18N4O3/c15-9-11-8-12(18(19)20)10-17-14(11)16-6-7-21-13-4-2-1-3-5-13/h8,10,13H,1-7H2,(H,16,17)
InChIKeyCSFYXGQSFKINBL-UHFFFAOYSA-N
XLogP2.62
TPSA101.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-amino-2-(2-cyclohexyloxyethylamino)pyridine-3-carbonitrile
CID 55259715
2-[(3-cyano-5-nitro-2-pyridinyl)amino]ethyl carbamate
CID 83203409
5-nitro-2-(propylamino)pyridine-3-carbonitrile
CID 25197726
5-nitro-2-(thian-2-ylmethylamino)pyridine-3-carbonitrile
CID 80612340
2-(2-methylsulfanylethylamino)-5-nitropyridine-3-carbonitrile
CID 60677777
2-(5-methylsulfanylpentylamino)-5-nitropyridine-3-carbonitrile
CID 104925608
2-(3-methylsulfinylpropylamino)-5-nitropyridine-3-carbonitrile
CID 115620988
2-[(3-cyano-5-nitro-2-pyridinyl)amino]-N-cyclopropylacetamide
CID 60678014
N-(2-cyclopentyloxyethyl)-4-nitroaniline
CID 60964997
2-(4-hydroxypentylamino)-5-nitropyridine-3-carbonitrile
CID 107269311
2-(azepan-4-ylamino)-5-nitropyridine-3-carbonitrile
CID 107173872
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690

Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile?
The IUPAC name of 2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile (CID 62198247) is 2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile is N#Cc1cc([N+](=O)[O-])cnc1NCCOC1CCCCC1.
What is the InChIKey of 2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile?
The InChIKey is CSFYXGQSFKINBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O3/c15-9-11-8-12(18(19)20)10-17-14(11)16-6-7-21-13-4-2-1-3-5-13/h8,10,13H,1-7H2,(H,16,17).
What are the key properties of 2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile?
2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile has a molecular weight of 290.32 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclohexyloxyethylamino)-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 62198247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).