2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile

C10H10N4O2 — CID 80712109

IUPAC2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2/c11-6-7-4-5-12-10(9(7)14(15)16)13-8-2-1-3-8/h4-5,8H,1-3H2,(H,12,13)
InChIKeyNJLQGFZNWQENCF-UHFFFAOYSA-N
MW218.22 g/mol
LogP1.83
Rot. Bonds3

About 2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile

2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile (PubChem CID 80712109) has the molecular formula C10H10N4O2 and a molecular weight of 218.22 g/mol. Its IUPAC name is 2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile.

Molecular Properties

Compound Name2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile
PubChem CID80712109
Molecular FormulaC10H10N4O2
Molecular Weight218.22 g/mol
Exact Mass218.08
IUPAC Name2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile
SMILESN#Cc1ccnc(NC2CCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H10N4O2/c11-6-7-4-5-12-10(9(7)14(15)16)13-8-2-1-3-8/h4-5,8H,1-3H2,(H,12,13)
InChIKeyNJLQGFZNWQENCF-UHFFFAOYSA-N
XLogP1.83
TPSA91.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.22
LogP ≤ 51.83
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'}

Analyze 2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile?
The IUPAC name of 2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile (CID 80712109) is 2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile.
What is the SMILES notation for 2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile?
The canonical SMILES for 2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile is N#Cc1ccnc(NC2CCC2)c1[N+](=O)[O-].
What is the InChIKey of 2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile?
The InChIKey is NJLQGFZNWQENCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2/c11-6-7-4-5-12-10(9(7)14(15)16)13-8-2-1-3-8/h4-5,8H,1-3H2,(H,12,13).
What are the key properties of 2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile?
2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile has a molecular weight of 218.22 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclobutylamino)-3-nitropyridine-4-carbonitrile is sourced from PubChem (CID 80712109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).