5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile

C10H9N3 — CID 114497950

IUPAC5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile
SMILESCNCC#Cc1cncc(C#N)c1
InChIInChI=1S/C10H9N3/c1-12-4-2-3-9-5-10(6-11)8-13-7-9/h5,7-8,12H,4H2,1H3
InChIKeyMYKGVNREDGTFDE-UHFFFAOYSA-N
MW171.20 g/mol
LogP0.52
Rot. Bonds1

About 5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile

5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile (PubChem CID 114497950) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile
PubChem CID114497950
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile
SMILESCNCC#Cc1cncc(C#N)c1
InChIInChI=1S/C10H9N3/c1-12-4-2-3-9-5-10(6-11)8-13-7-9/h5,7-8,12H,4H2,1H3
InChIKeyMYKGVNREDGTFDE-UHFFFAOYSA-N
XLogP0.52
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[3-(methylamino)prop-1-ynyl]pyridine-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

Frequently Asked Questions

What is the IUPAC name of 5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile?
The IUPAC name of 5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile (CID 114497950) is 5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile.
What is the SMILES notation for 5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile?
The canonical SMILES for 5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile is CNCC#Cc1cncc(C#N)c1.
What is the InChIKey of 5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile?
The InChIKey is MYKGVNREDGTFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3/c1-12-4-2-3-9-5-10(6-11)8-13-7-9/h5,7-8,12H,4H2,1H3.
What are the key properties of 5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile?
5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile has a molecular weight of 171.20 g/mol, XLogP of 0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methylamino)prop-1-ynyl]pyridine-3-carbonitrile is sourced from PubChem (CID 114497950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).