(5-methyl-3-pyridinyl)cyanamide

C7H7N3 — CID 13041556

IUPAC(5-methyl-3-pyridinyl)cyanamide
SMILESCc1cncc(NC#N)c1
InChIInChI=1S/C7H7N3/c1-6-2-7(10-5-8)4-9-3-6/h2-4,10H,1H3
InChIKeyUFZNAUJPCFYZDC-UHFFFAOYSA-N
MW133.15 g/mol
LogP1.28
Rot. Bonds1

About (5-methyl-3-pyridinyl)cyanamide

(5-methyl-3-pyridinyl)cyanamide (PubChem CID 13041556) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is (5-methyl-3-pyridinyl)cyanamide.

Molecular Properties

Compound Name(5-methyl-3-pyridinyl)cyanamide
PubChem CID13041556
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name(5-methyl-3-pyridinyl)cyanamide
SMILESCc1cncc(NC#N)c1
InChIInChI=1S/C7H7N3/c1-6-2-7(10-5-8)4-9-3-6/h2-4,10H,1H3
InChIKeyUFZNAUJPCFYZDC-UHFFFAOYSA-N
XLogP1.28
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 51.28
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 (5-methyl-3-pyridinyl)cyanamide?
The IUPAC name of (5-methyl-3-pyridinyl)cyanamide (CID 13041556) is (5-methyl-3-pyridinyl)cyanamide.
What is the SMILES notation for (5-methyl-3-pyridinyl)cyanamide?
The canonical SMILES for (5-methyl-3-pyridinyl)cyanamide is Cc1cncc(NC#N)c1.
What is the InChIKey of (5-methyl-3-pyridinyl)cyanamide?
The InChIKey is UFZNAUJPCFYZDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-6-2-7(10-5-8)4-9-3-6/h2-4,10H,1H3.
What are the key properties of (5-methyl-3-pyridinyl)cyanamide?
(5-methyl-3-pyridinyl)cyanamide has a molecular weight of 133.15 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3-pyridinyl)cyanamide is sourced from PubChem (CID 13041556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).