(1-pentyl-2-pyridinylidene)cyanamide

C11H15N3 — CID 134495227

IUPAC(1-pentyl-2-pyridinylidene)cyanamide
SMILESCCCCCn1cccc/c1=N\C#N
InChIInChI=1S/C11H15N3/c1-2-3-5-8-14-9-6-4-7-11(14)13-10-12/h4,6-7,9H,2-3,5,8H2,1H3/b13-11+
InChIKeyUWACHNZESINEEP-ACCUITESSA-N
MW189.26 g/mol
LogP2.06
Rot. Bonds4

About (1-pentyl-2-pyridinylidene)cyanamide

(1-pentyl-2-pyridinylidene)cyanamide (PubChem CID 134495227) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is (1-pentyl-2-pyridinylidene)cyanamide.

Molecular Properties

Compound Name(1-pentyl-2-pyridinylidene)cyanamide
PubChem CID134495227
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name(1-pentyl-2-pyridinylidene)cyanamide
SMILESCCCCCn1cccc/c1=N\C#N
InChIInChI=1S/C11H15N3/c1-2-3-5-8-14-9-6-4-7-11(14)13-10-12/h4,6-7,9H,2-3,5,8H2,1H3/b13-11+
InChIKeyUWACHNZESINEEP-ACCUITESSA-N
XLogP2.06
TPSA41.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-pentyl-2-pyridinylidene)cyanamide?
The IUPAC name of (1-pentyl-2-pyridinylidene)cyanamide (CID 134495227) is (1-pentyl-2-pyridinylidene)cyanamide.
What is the SMILES notation for (1-pentyl-2-pyridinylidene)cyanamide?
The canonical SMILES for (1-pentyl-2-pyridinylidene)cyanamide is CCCCCn1cccc/c1=N\C#N.
What is the InChIKey of (1-pentyl-2-pyridinylidene)cyanamide?
The InChIKey is UWACHNZESINEEP-ACCUITESSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-3-5-8-14-9-6-4-7-11(14)13-10-12/h4,6-7,9H,2-3,5,8H2,1H3/b13-11+.
What are the key properties of (1-pentyl-2-pyridinylidene)cyanamide?
(1-pentyl-2-pyridinylidene)cyanamide has a molecular weight of 189.26 g/mol, XLogP of 2.06, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-pentyl-2-pyridinylidene)cyanamide is sourced from PubChem (CID 134495227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).