6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate

C14H20N4O3 — CID 71217326

IUPAC6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate
SMILESCc1cc(=O)cc(NC(=O)NCCCCCCOC#N)[nH]1
InChIInChI=1S/C14H20N4O3/c1-11-8-12(19)9-13(17-11)18-14(20)16-6-4-2-3-5-7-21-10-15/h8-9H,2-7H2,1H3,(H3,16,17,18,19,20)
InChIKeyDZTAISWJYVDAOP-UHFFFAOYSA-N
MW292.34 g/mol
LogP1.86
Rot. Bonds8

About 6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate

6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate (PubChem CID 71217326) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is 6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate.

Molecular Properties

Compound Name6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate
PubChem CID71217326
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Name6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate
SMILESCc1cc(=O)cc(NC(=O)NCCCCCCOC#N)[nH]1
InChIInChI=1S/C14H20N4O3/c1-11-8-12(19)9-13(17-11)18-14(20)16-6-4-2-3-5-7-21-10-15/h8-9H,2-7H2,1H3,(H3,16,17,18,19,20)
InChIKeyDZTAISWJYVDAOP-UHFFFAOYSA-N
XLogP1.86
TPSA107.01 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate?
The IUPAC name of 6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate (CID 71217326) is 6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate.
What is the SMILES notation for 6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate?
The canonical SMILES for 6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate is Cc1cc(=O)cc(NC(=O)NCCCCCCOC#N)[nH]1.
What is the InChIKey of 6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate?
The InChIKey is DZTAISWJYVDAOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-11-8-12(19)9-13(17-11)18-14(20)16-6-4-2-3-5-7-21-10-15/h8-9H,2-7H2,1H3,(H3,16,17,18,19,20).
What are the key properties of 6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate?
6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate has a molecular weight of 292.34 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(6-methyl-4-oxo-1H-pyridin-2-yl)carbamoylamino]hexyl cyanate is sourced from PubChem (CID 71217326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).