(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide

C9H8N4 — CID 11008385

IUPAC(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
SMILESCc1cc(C)c(C#N)c(NC#N)n1
InChIInChI=1S/C9H8N4/c1-6-3-7(2)13-9(12-5-11)8(6)4-10/h3H,1-2H3,(H,12,13)
InChIKeyDJODUGHWQPNEPM-UHFFFAOYSA-N
MW172.19 g/mol
LogP1.46
Rot. Bonds1

About (3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide

(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide (PubChem CID 11008385) has the molecular formula C9H8N4 and a molecular weight of 172.19 g/mol. Its IUPAC name is (3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide.

Molecular Properties

Compound Name(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
PubChem CID11008385
Molecular FormulaC9H8N4
Molecular Weight172.19 g/mol
Exact Mass172.07
IUPAC Name(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide
SMILESCc1cc(C)c(C#N)c(NC#N)n1
InChIInChI=1S/C9H8N4/c1-6-3-7(2)13-9(12-5-11)8(6)4-10/h3H,1-2H3,(H,12,13)
InChIKeyDJODUGHWQPNEPM-UHFFFAOYSA-N
XLogP1.46
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.19
LogP ≤ 51.46
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 (3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide?
The IUPAC name of (3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide (CID 11008385) is (3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide.
What is the SMILES notation for (3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide?
The canonical SMILES for (3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide is Cc1cc(C)c(C#N)c(NC#N)n1.
What is the InChIKey of (3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide?
The InChIKey is DJODUGHWQPNEPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N4/c1-6-3-7(2)13-9(12-5-11)8(6)4-10/h3H,1-2H3,(H,12,13).
What are the key properties of (3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide?
(3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide has a molecular weight of 172.19 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyano-4,6-dimethyl-2-pyridinyl)cyanamide is sourced from PubChem (CID 11008385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).