N-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide

C13H20N6O4S — CID 71206156

IUPACN-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide
SMILESCCS(=O)(=O)NCCCCC(=O)Nc1ccc(OCN=[N+]=[N-])nc1
InChIInChI=1S/C13H20N6O4S/c1-2-24(21,22)17-8-4-3-5-12(20)18-11-6-7-13(15-9-11)23-10-16-19-14/h6-7,9,17H,2-5,8,10H2,1H3,(H,18,20)
InChIKeyBPNRSBXFQZEVJN-UHFFFAOYSA-N
MW356.41 g/mol
LogP1.78
Rot. Bonds11

About N-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide

N-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide (PubChem CID 71206156) has the molecular formula C13H20N6O4S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide.

Molecular Properties

Compound NameN-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide
PubChem CID71206156
Molecular FormulaC13H20N6O4S
Molecular Weight356.41 g/mol
Exact Mass356.13
IUPAC NameN-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide
SMILESCCS(=O)(=O)NCCCCC(=O)Nc1ccc(OCN=[N+]=[N-])nc1
InChIInChI=1S/C13H20N6O4S/c1-2-24(21,22)17-8-4-3-5-12(20)18-11-6-7-13(15-9-11)23-10-16-19-14/h6-7,9,17H,2-5,8,10H2,1H3,(H,18,20)
InChIKeyBPNRSBXFQZEVJN-UHFFFAOYSA-N
XLogP1.78
TPSA146.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-5-(2,2,2-trifluoroethylsulfonylamino)pentanamide
CID 89185244
N-(6-methoxy-3-pyridinyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 8892342
6-azido-N-(4-ethoxyphenyl)hexanamide
CID 42612189
5-chloro-N-[6-(2-methoxyethoxy)-3-pyridinyl]pentanamide
CID 43697910
5-amino-N-(6-ethoxy-3-pyridinyl)hexanamide
CID 82852458
N-[6-(2-methoxyethoxy)-3-pyridinyl]-4-(methylamino)butanamide
CID 54924715
6-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]hexanamide
CID 43704143
6-amino-N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]hexanamide
CID 43700692
3-acetamido-N-(6-methoxy-3-pyridinyl)propanamide
CID 47096905
N-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]-3-[(2,4,6-trimethylphenyl)sulfonylamino]propanamide
CID 55712283
N-[6-(2,4-dimethylphenoxy)-3-pyridinyl]hexanamide
CID 42691192
4-[[6-(2-ethoxyphenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194137

Frequently Asked Questions

What is the IUPAC name of N-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide?
The IUPAC name of N-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide (CID 71206156) is N-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide.
What is the SMILES notation for N-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide?
The canonical SMILES for N-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide is CCS(=O)(=O)NCCCCC(=O)Nc1ccc(OCN=[N+]=[N-])nc1.
What is the InChIKey of N-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide?
The InChIKey is BPNRSBXFQZEVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O4S/c1-2-24(21,22)17-8-4-3-5-12(20)18-11-6-7-13(15-9-11)23-10-16-19-14/h6-7,9,17H,2-5,8,10H2,1H3,(H,18,20).
What are the key properties of N-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide?
N-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide has a molecular weight of 356.41 g/mol, XLogP of 1.78, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(azidomethoxy)-3-pyridinyl]-5-(ethylsulfonylamino)pentanamide is sourced from PubChem (CID 71206156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).