6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile

C14H18N4O2 — CID 106013027

IUPAC6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(NCCCC2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H18N4O2/c15-9-12-8-13(18(19)20)14(17-10-12)16-7-3-6-11-4-1-2-5-11/h8,10-11H,1-7H2,(H,16,17)
InChIKeyKUWMBYLZYDOOMO-UHFFFAOYSA-N
MW274.32 g/mol
LogP3.24
Rot. Bonds6

About 6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile

6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile (PubChem CID 106013027) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is 6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile
PubChem CID106013027
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Name6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(NCCCC2CCCC2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H18N4O2/c15-9-12-8-13(18(19)20)14(17-10-12)16-7-3-6-11-4-1-2-5-11/h8,10-11H,1-7H2,(H,16,17)
InChIKeyKUWMBYLZYDOOMO-UHFFFAOYSA-N
XLogP3.24
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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': '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

6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471221
6-[2-(1-methylpiperidin-4-yl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103472122
6-(3-butoxypropylamino)-5-nitropyridine-3-carbonitrile
CID 103472042
5-nitro-6-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 103472056
5-bromo-N-(2-cyclopentylethyl)-3-nitropyridin-2-amine
CID 61227864
5-nitro-6-(oxetan-2-ylmethylamino)pyridine-3-carbonitrile
CID 170428144
6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 170427998
6-(azepan-3-ylamino)-5-nitropyridine-3-carbonitrile
CID 103472329
6-[[1-hydroxy-2-(hydroxymethyl)butan-2-yl]amino]-5-nitropyridine-3-carbonitrile
CID 107866246
6-hydrazinyl-5-nitropyridine-3-carbonitrile
CID 103470111
6-[2-(2-methylpropoxy)ethylamino]-5-nitropyridine-3-carbonitrile
CID 103472107
6-[(2-methylcyclopentyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471641

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile (CID 106013027) is 6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile is N#Cc1cnc(NCCCC2CCCC2)c([N+](=O)[O-])c1.
What is the InChIKey of 6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile?
The InChIKey is KUWMBYLZYDOOMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c15-9-12-8-13(18(19)20)14(17-10-12)16-7-3-6-11-4-1-2-5-11/h8,10-11H,1-7H2,(H,16,17).
What are the key properties of 6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile?
6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile has a molecular weight of 274.32 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 106013027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).