[(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide

C9H14N4 — CID 21150867

IUPAC[(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide
SMILESCN(C)/C=C1/CCCN=C1NC#N
InChIInChI=1S/C9H14N4/c1-13(2)6-8-4-3-5-11-9(8)12-7-10/h6H,3-5H2,1-2H3,(H,11,12)/b8-6-
InChIKeyZAYPNVUOUHTVIV-VURMDHGXSA-N
MW178.24 g/mol
LogP0.69
Rot. Bonds1

About [(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide

[(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide (PubChem CID 21150867) has the molecular formula C9H14N4 and a molecular weight of 178.24 g/mol. Its IUPAC name is [(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide.

Molecular Properties

Compound Name[(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide
PubChem CID21150867
Molecular FormulaC9H14N4
Molecular Weight178.24 g/mol
Exact Mass178.12
IUPAC Name[(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide
SMILESCN(C)/C=C1/CCCN=C1NC#N
InChIInChI=1S/C9H14N4/c1-13(2)6-8-4-3-5-11-9(8)12-7-10/h6H,3-5H2,1-2H3,(H,11,12)/b8-6-
InChIKeyZAYPNVUOUHTVIV-VURMDHGXSA-N
XLogP0.69
TPSA51.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 [(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide?
The IUPAC name of [(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide (CID 21150867) is [(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide.
What is the SMILES notation for [(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide?
The canonical SMILES for [(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide is CN(C)/C=C1/CCCN=C1NC#N.
What is the InChIKey of [(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide?
The InChIKey is ZAYPNVUOUHTVIV-VURMDHGXSA-N. The full InChI is InChI=1S/C9H14N4/c1-13(2)6-8-4-3-5-11-9(8)12-7-10/h6H,3-5H2,1-2H3,(H,11,12)/b8-6-.
What are the key properties of [(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide?
[(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide has a molecular weight of 178.24 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5Z)-5-(dimethylaminomethylidene)-3,4-dihydro-2H-pyridin-6-yl]cyanamide is sourced from PubChem (CID 21150867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).