5-(4-azidobut-1-enyl)pyridine-3-carboxamide

C10H11N5O — CID 170485248

IUPAC5-(4-azidobut-1-enyl)pyridine-3-carboxamide
SMILES[N-]=[N+]=NCCC=Cc1cncc(C(N)=O)c1
InChIInChI=1S/C10H11N5O/c11-10(16)9-5-8(6-13-7-9)3-1-2-4-14-15-12/h1,3,5-7H,2,4H2,(H2,11,16)
InChIKeyLYSYAAKZGWSZJL-UHFFFAOYSA-N
MW217.23 g/mol
LogP1.89
Rot. Bonds5

About 5-(4-azidobut-1-enyl)pyridine-3-carboxamide

5-(4-azidobut-1-enyl)pyridine-3-carboxamide (PubChem CID 170485248) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-(4-azidobut-1-enyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(4-azidobut-1-enyl)pyridine-3-carboxamide
PubChem CID170485248
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC Name5-(4-azidobut-1-enyl)pyridine-3-carboxamide
SMILES[N-]=[N+]=NCCC=Cc1cncc(C(N)=O)c1
InChIInChI=1S/C10H11N5O/c11-10(16)9-5-8(6-13-7-9)3-1-2-4-14-15-12/h1,3,5-7H,2,4H2,(H2,11,16)
InChIKeyLYSYAAKZGWSZJL-UHFFFAOYSA-N
XLogP1.89
TPSA104.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

5-[(E,4S)-4-aminopent-1-enyl]pyridine-3-carboxamide;dihydrochloride
CID 178024402
1-[3-(4-azidobut-1-enyl)phenyl]ethanone
CID 170485174
1-[4-(4-azidobut-1-enyl)phenyl]ethanone
CID 170485177
1-[5-(4-hydroxybut-1-enyl)-3-pyridinyl]ethanone
CID 170476646
5-(4-aminobut-1-enyl)pyridine-3-carbohydrazide
CID 170487393
1-[3-(4-azidobut-1-enyl)phenyl]-2,2,2-trifluoroethanone
CID 170486104
5-(3-azidoprop-1-enyl)pyridin-3-ol
CID 169461299
5-(4-azidobut-1-enyl)-2-chloro-3-fluoropyridine
CID 170485000
5-(4-azidobut-1-enyl)-3-(trifluoromethyl)pyridin-2-amine
CID 170485854
[2-amino-5-(4-azidobut-1-enyl)phenyl]-phenylmethanone
CID 170486274
methyl 3-(5-carbamoyl-3-pyridinyl)prop-2-enoate
CID 169478967
1-[4-(4-azidobut-1-enyl)phenyl]-2,2,2-trifluoroethanone
CID 170486101

Frequently Asked Questions

What is the IUPAC name of 5-(4-azidobut-1-enyl)pyridine-3-carboxamide?
The IUPAC name of 5-(4-azidobut-1-enyl)pyridine-3-carboxamide (CID 170485248) is 5-(4-azidobut-1-enyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(4-azidobut-1-enyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(4-azidobut-1-enyl)pyridine-3-carboxamide is [N-]=[N+]=NCCC=Cc1cncc(C(N)=O)c1.
What is the InChIKey of 5-(4-azidobut-1-enyl)pyridine-3-carboxamide?
The InChIKey is LYSYAAKZGWSZJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c11-10(16)9-5-8(6-13-7-9)3-1-2-4-14-15-12/h1,3,5-7H,2,4H2,(H2,11,16).
What are the key properties of 5-(4-azidobut-1-enyl)pyridine-3-carboxamide?
5-(4-azidobut-1-enyl)pyridine-3-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-azidobut-1-enyl)pyridine-3-carboxamide is sourced from PubChem (CID 170485248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).