N-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide

C18H20FN5O3 — CID 118632149

IUPACN-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide
SMILES[N-]=[N+]=NCCCCn1ccc(NC(=O)Cc2cccc(OCF)c2)cc1=O
InChIInChI=1S/C18H20FN5O3/c19-13-27-16-5-3-4-14(10-16)11-17(25)22-15-6-9-24(18(26)12-15)8-2-1-7-21-23-20/h3-6,9-10,12H,1-2,7-8,11,13H2,(H,22,25)
InChIKeyMAYAQCONVJNWGI-UHFFFAOYSA-N
MW373.39 g/mol
LogP3.43
Rot. Bonds10

About N-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide

N-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide (PubChem CID 118632149) has the molecular formula C18H20FN5O3 and a molecular weight of 373.39 g/mol. Its IUPAC name is N-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide
PubChem CID118632149
Molecular FormulaC18H20FN5O3
Molecular Weight373.39 g/mol
Exact Mass373.16
IUPAC NameN-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide
SMILES[N-]=[N+]=NCCCCn1ccc(NC(=O)Cc2cccc(OCF)c2)cc1=O
InChIInChI=1S/C18H20FN5O3/c19-13-27-16-5-3-4-14(10-16)11-17(25)22-15-6-9-24(18(26)12-15)8-2-1-7-21-23-20/h3-6,9-10,12H,1-2,7-8,11,13H2,(H,22,25)
InChIKeyMAYAQCONVJNWGI-UHFFFAOYSA-N
XLogP3.43
TPSA109.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.39
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(trifluoromethoxy)phenyl]acetamide
CID 118622419
N-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[2-(trifluoromethoxy)phenyl]acetamide
CID 118626193
1-[4-[2-oxo-4-[[2-[3-(trifluoromethoxy)phenyl]acetyl]amino]-1-pyridinyl]butyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]triazole-4-carboxamide
CID 118622128
1-[4-[2-oxo-4-[(2-phenylacetyl)amino]-1-pyridinyl]butyl]triazole-4-carboxylic acid
CID 118622304
1-(3-azidopropyl)pyridin-2-one
CID 61396635
4-azido-N-(3-methylphenyl)butanamide
CID 61373304
9-azido-N-(4-phenoxyphenyl)nonanamide
CID 44817916
[3-(2-azidoethoxy)phenyl]methanol
CID 59552460
methyl 3-(3-azidopropoxy)benzoate
CID 54770673
2-(3-methoxyphenyl)-N-phenylacetamide
CID 2598681
N-(3-hydroxyphenyl)-2-(3-methoxyphenyl)acetamide
CID 28739724
1-(4-azidobutyl)-3-(3-fluorophenyl)urea
CID 106386930

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide (CID 118632149) is N-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide is [N-]=[N+]=NCCCCn1ccc(NC(=O)Cc2cccc(OCF)c2)cc1=O.
What is the InChIKey of N-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide?
The InChIKey is MAYAQCONVJNWGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O3/c19-13-27-16-5-3-4-14(10-16)11-17(25)22-15-6-9-24(18(26)12-15)8-2-1-7-21-23-20/h3-6,9-10,12H,1-2,7-8,11,13H2,(H,22,25).
What are the key properties of N-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide?
N-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide has a molecular weight of 373.39 g/mol, XLogP of 3.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-azidobutyl)-2-oxo-4-pyridinyl]-2-[3-(fluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 118632149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).