6-(pyridin-2-ylcarbamoylamino)hexyl cyanate

C13H18N4O2 — CID 139402160

IUPAC6-(pyridin-2-ylcarbamoylamino)hexyl cyanate
SMILESN#COCCCCCCNC(=O)Nc1ccccn1
InChIInChI=1S/C13H18N4O2/c14-11-19-10-6-2-1-4-9-16-13(18)17-12-7-3-5-8-15-12/h3,5,7-8H,1-2,4,6,9-10H2,(H2,15,16,17,18)
InChIKeyYVTQNTBQHHCDPE-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.26
Rot. Bonds8

About 6-(pyridin-2-ylcarbamoylamino)hexyl cyanate

6-(pyridin-2-ylcarbamoylamino)hexyl cyanate (PubChem CID 139402160) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 6-(pyridin-2-ylcarbamoylamino)hexyl cyanate.

Molecular Properties

Compound Name6-(pyridin-2-ylcarbamoylamino)hexyl cyanate
PubChem CID139402160
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name6-(pyridin-2-ylcarbamoylamino)hexyl cyanate
SMILESN#COCCCCCCNC(=O)Nc1ccccn1
InChIInChI=1S/C13H18N4O2/c14-11-19-10-6-2-1-4-9-16-13(18)17-12-7-3-5-8-15-12/h3,5,7-8H,1-2,4,6,9-10H2,(H2,15,16,17,18)
InChIKeyYVTQNTBQHHCDPE-UHFFFAOYSA-N
XLogP2.26
TPSA87.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.26
H-Bond Donors ≤ 52
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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Related Compounds

1-(3-aminopropyl)-3-pyridin-2-ylurea
CID 110492095
1-[3-(dimethylamino)propyl]-3-pyridin-2-ylurea
CID 47237954
1-[3-(4-bromo-2-chlorophenoxy)propyl]-3-pyridin-2-ylurea
CID 108882467
CID 145258364
CID 145258364
1-phenyl-3-[4-(pyridin-2-ylamino)butyl]urea
CID 51108284
1-[2-(3-chlorophenyl)ethyl]-3-pyridin-2-ylurea
CID 47240493
1-[(3R)-3-[(S)-methylsulfinyl]butyl]-3-pyridin-2-ylurea
CID 97351423
N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide
CID 11716112
1-[2-(pentan-3-ylamino)ethyl]-3-pyridin-2-ylurea
CID 138623124
1-[(3,4-dimethylphenoxy)methyl]-3-pyridin-2-ylurea
CID 108879154
1-hydroxy-3-pyridin-2-ylurea
CID 20612761
1-(2-chloroethyl)-3-(pyridin-2-ylamino)urea
CID 10680176

Frequently Asked Questions

What is the IUPAC name of 6-(pyridin-2-ylcarbamoylamino)hexyl cyanate?
The IUPAC name of 6-(pyridin-2-ylcarbamoylamino)hexyl cyanate (CID 139402160) is 6-(pyridin-2-ylcarbamoylamino)hexyl cyanate.
What is the SMILES notation for 6-(pyridin-2-ylcarbamoylamino)hexyl cyanate?
The canonical SMILES for 6-(pyridin-2-ylcarbamoylamino)hexyl cyanate is N#COCCCCCCNC(=O)Nc1ccccn1.
What is the InChIKey of 6-(pyridin-2-ylcarbamoylamino)hexyl cyanate?
The InChIKey is YVTQNTBQHHCDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c14-11-19-10-6-2-1-4-9-16-13(18)17-12-7-3-5-8-15-12/h3,5,7-8H,1-2,4,6,9-10H2,(H2,15,16,17,18).
What are the key properties of 6-(pyridin-2-ylcarbamoylamino)hexyl cyanate?
6-(pyridin-2-ylcarbamoylamino)hexyl cyanate has a molecular weight of 262.31 g/mol, XLogP of 2.26, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(pyridin-2-ylcarbamoylamino)hexyl cyanate is sourced from PubChem (CID 139402160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).