pyridin-3-ylcyanamide

C6H5N3 — CID 12652072

IUPACpyridin-3-ylcyanamide
SMILESN#CNc1cccnc1
InChIInChI=1S/C6H5N3/c7-5-9-6-2-1-3-8-4-6/h1-4,9H
InChIKeyJCWMBJNZTLNMBQ-UHFFFAOYSA-N
MW119.13 g/mol
LogP0.97
Rot. Bonds1

About pyridin-3-ylcyanamide

pyridin-3-ylcyanamide (PubChem CID 12652072) has the molecular formula C6H5N3 and a molecular weight of 119.13 g/mol. Its IUPAC name is pyridin-3-ylcyanamide.

Molecular Properties

Compound Namepyridin-3-ylcyanamide
PubChem CID12652072
Molecular FormulaC6H5N3
Molecular Weight119.13 g/mol
Exact Mass119.05
IUPAC Namepyridin-3-ylcyanamide
SMILESN#CNc1cccnc1
InChIInChI=1S/C6H5N3/c7-5-9-6-2-1-3-8-4-6/h1-4,9H
InChIKeyJCWMBJNZTLNMBQ-UHFFFAOYSA-N
XLogP0.97
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.13
LogP ≤ 50.97
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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Related Compounds

2-(pyridin-3-ylamino)acetonitrile
CID 24972763
N-fluoropyridin-3-amine
CID 141274626
(pyridin-3-ylamino)mercury(1+)
CID 16685218
N-bromopyridin-3-amine
CID 87128938
N-pyridin-3-ylmethanethioamide
CID 22299133
ethane;N-methylpyridin-3-amine
CID 91430147
azane;N-methylpyridin-3-amine
CID 70247108
2-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24708070
N-pyridin-3-ylpyrimidin-2-amine
CID 11593513
1-bromo-2-pyridin-3-ylhydrazine
CID 142776017
2-(pyridin-3-ylamino)pyridine-4-carbonitrile
CID 24702433
6-(pyridin-3-ylamino)pyridine-3-carbonitrile
CID 24690625

Frequently Asked Questions

What is the IUPAC name of pyridin-3-ylcyanamide?
The IUPAC name of pyridin-3-ylcyanamide (CID 12652072) is pyridin-3-ylcyanamide.
What is the SMILES notation for pyridin-3-ylcyanamide?
The canonical SMILES for pyridin-3-ylcyanamide is N#CNc1cccnc1.
What is the InChIKey of pyridin-3-ylcyanamide?
The InChIKey is JCWMBJNZTLNMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5N3/c7-5-9-6-2-1-3-8-4-6/h1-4,9H.
What are the key properties of pyridin-3-ylcyanamide?
pyridin-3-ylcyanamide has a molecular weight of 119.13 g/mol, XLogP of 0.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-3-ylcyanamide is sourced from PubChem (CID 12652072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).