N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide

C13H19N3O2S — CID 11716112

IUPACN-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide
SMILESO=C(CS)NCCCCCC(=O)Nc1ccccn1
InChIInChI=1S/C13H19N3O2S/c17-12(16-11-6-3-5-8-14-11)7-2-1-4-9-15-13(18)10-19/h3,5-6,8,19H,1-2,4,7,9-10H2,(H,15,18)(H,14,16,17)
InChIKeyVBIUHYINLAOFMM-UHFFFAOYSA-N
MW281.38 g/mol
LogP1.63
Rot. Bonds8

About N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide

N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide (PubChem CID 11716112) has the molecular formula C13H19N3O2S and a molecular weight of 281.38 g/mol. Its IUPAC name is N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide.

Molecular Properties

Compound NameN-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide
PubChem CID11716112
Molecular FormulaC13H19N3O2S
Molecular Weight281.38 g/mol
Exact Mass281.12
IUPAC NameN-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide
SMILESO=C(CS)NCCCCCC(=O)Nc1ccccn1
InChIInChI=1S/C13H19N3O2S/c17-12(16-11-6-3-5-8-14-11)7-2-1-4-9-15-13(18)10-19/h3,5-6,8,19H,1-2,4,7,9-10H2,(H,15,18)(H,14,16,17)
InChIKeyVBIUHYINLAOFMM-UHFFFAOYSA-N
XLogP1.63
TPSA71.09 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.38
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

N-phenyl-5-[(2-sulfanylacetyl)amino]pentanamide
CID 11623126
N,N'-dipyridin-2-ylbutanediamide
CID 3684644
(Z)-N-pyridin-2-yloctadec-9-enamide
CID 145189388
6-(1,3-dioxoisoindol-2-yl)-N-pyridin-2-ylhexanamide
CID 565136
5-oxo-5-phenyl-N-pyridin-2-ylpentanamide
CID 108796237
4-(methylamino)-N-[4-(pyridin-2-ylamino)butyl]butanamide;dihydrochloride
CID 119874666
4-(cyclohexylcarbamoylamino)-N-pyridin-2-ylbutanamide
CID 16614836
N-(3-formamidopropyl)-N'-pyridin-2-yloxamide
CID 108525918
N-[4-(2-aminophenyl)phenyl]-6-[(2-sulfanylacetyl)amino]hexanamide
CID 25032156
N-(2-phenyl-2,3-dihydro-1,3,4-thiadiazol-5-yl)-6-[(2-sulfanylacetyl)amino]hexanamide
CID 143199199
2,4-difluoro-N-[4-oxo-4-(pyridin-2-ylamino)butyl]benzamide
CID 51312310
N-[5-[(2-sulfanylacetyl)amino]pentyl]benzamide
CID 11482903

Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide?
The IUPAC name of N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide (CID 11716112) is N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide.
What is the SMILES notation for N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide?
The canonical SMILES for N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide is O=C(CS)NCCCCCC(=O)Nc1ccccn1.
What is the InChIKey of N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide?
The InChIKey is VBIUHYINLAOFMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2S/c17-12(16-11-6-3-5-8-14-11)7-2-1-4-9-15-13(18)10-19/h3,5-6,8,19H,1-2,4,7,9-10H2,(H,15,18)(H,14,16,17).
What are the key properties of N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide?
N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide has a molecular weight of 281.38 g/mol, XLogP of 1.63, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-6-[(2-sulfanylacetyl)amino]hexanamide is sourced from PubChem (CID 11716112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).