6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile

C11H9N5O2 — CID 170427998

IUPAC6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC2(C#N)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9N5O2/c12-4-8-3-9(16(17)18)10(14-5-8)15-7-11(6-13)1-2-11/h3,5H,1-2,7H2,(H,14,15)
InChIKeyLYXCWVPTWUQUNE-UHFFFAOYSA-N
MW243.23 g/mol
LogP1.58
Rot. Bonds4

About 6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile

6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile (PubChem CID 170427998) has the molecular formula C11H9N5O2 and a molecular weight of 243.23 g/mol. Its IUPAC name is 6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile
PubChem CID170427998
Molecular FormulaC11H9N5O2
Molecular Weight243.23 g/mol
Exact Mass243.08
IUPAC Name6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile
SMILESN#Cc1cnc(NCC2(C#N)CC2)c([N+](=O)[O-])c1
InChIInChI=1S/C11H9N5O2/c12-4-8-3-9(16(17)18)10(14-5-8)15-7-11(6-13)1-2-11/h3,5H,1-2,7H2,(H,14,15)
InChIKeyLYXCWVPTWUQUNE-UHFFFAOYSA-N
XLogP1.58
TPSA115.64 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(cyclobutylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471221
6-hydrazinyl-5-nitropyridine-3-carbonitrile
CID 103470111
5-nitro-6-(oxetan-2-ylmethylamino)pyridine-3-carbonitrile
CID 170428144
5-nitro-6-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 103472056
6-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471625
6-[(4,4-dimethylcyclohexyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471718
6-(3-cyclopentylpropylamino)-5-nitropyridine-3-carbonitrile
CID 106013027
6-(1H-imidazol-5-ylmethylamino)-5-nitropyridine-3-carbonitrile
CID 103471795
6-[(4-hydroxy-2-methylbutan-2-yl)amino]-5-nitropyridine-3-carbonitrile
CID 103472091
6-[(2-ethyl-4-hydroxybutyl)amino]-5-nitropyridine-3-carbonitrile
CID 103471860
6-[2-(5-bromothiophen-2-yl)ethylamino]-5-nitropyridine-3-carbonitrile
CID 106049011
6-[(5-cyano-3-nitro-2-pyridinyl)amino]-4-methylhexanoic acid
CID 103469962

Frequently Asked Questions

What is the IUPAC name of 6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile?
The IUPAC name of 6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile (CID 170427998) is 6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile.
What is the SMILES notation for 6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile?
The canonical SMILES for 6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile is N#Cc1cnc(NCC2(C#N)CC2)c([N+](=O)[O-])c1.
What is the InChIKey of 6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile?
The InChIKey is LYXCWVPTWUQUNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O2/c12-4-8-3-9(16(17)18)10(14-5-8)15-7-11(6-13)1-2-11/h3,5H,1-2,7H2,(H,14,15).
What are the key properties of 6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile?
6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile has a molecular weight of 243.23 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-cyanocyclopropyl)methylamino]-5-nitropyridine-3-carbonitrile is sourced from PubChem (CID 170427998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).