3,4-dihydropyridin-2-ylcyanamide

C6H7N3 — CID 22052884

IUPAC3,4-dihydropyridin-2-ylcyanamide
SMILESN#CNC1=NC=CCC1
InChIInChI=1S/C6H7N3/c7-5-9-6-3-1-2-4-8-6/h2,4H,1,3H2,(H,8,9)
InChIKeyOXVCEXNEFUQBOS-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.76
Rot. Bonds

About 3,4-dihydropyridin-2-ylcyanamide

3,4-dihydropyridin-2-ylcyanamide (PubChem CID 22052884) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 3,4-dihydropyridin-2-ylcyanamide.

Molecular Properties

Compound Name3,4-dihydropyridin-2-ylcyanamide
PubChem CID22052884
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name3,4-dihydropyridin-2-ylcyanamide
SMILESN#CNC1=NC=CCC1
InChIInChI=1S/C6H7N3/c7-5-9-6-3-1-2-4-8-6/h2,4H,1,3H2,(H,8,9)
InChIKeyOXVCEXNEFUQBOS-UHFFFAOYSA-N
XLogP0.76
TPSA48.18 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}, {'alert_name': 'enamine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydropyridin-2-ylcyanamide?
The IUPAC name of 3,4-dihydropyridin-2-ylcyanamide (CID 22052884) is 3,4-dihydropyridin-2-ylcyanamide.
What is the SMILES notation for 3,4-dihydropyridin-2-ylcyanamide?
The canonical SMILES for 3,4-dihydropyridin-2-ylcyanamide is N#CNC1=NC=CCC1.
What is the InChIKey of 3,4-dihydropyridin-2-ylcyanamide?
The InChIKey is OXVCEXNEFUQBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c7-5-9-6-3-1-2-4-8-6/h2,4H,1,3H2,(H,8,9).
What are the key properties of 3,4-dihydropyridin-2-ylcyanamide?
3,4-dihydropyridin-2-ylcyanamide has a molecular weight of 121.14 g/mol, XLogP of 0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydropyridin-2-ylcyanamide is sourced from PubChem (CID 22052884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).