2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide

C11H15FN6O — CID 83119646

IUPAC2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide
SMILESCC(NCCCN=[N+]=[N-])(C(N)=O)c1ccc(F)cn1
InChIInChI=1S/C11H15FN6O/c1-11(10(13)19,16-5-2-6-17-18-14)9-4-3-8(12)7-15-9/h3-4,7,16H,2,5-6H2,1H3,(H2,13,19)
InChIKeyIFNGSOCRJRKLFQ-UHFFFAOYSA-N
MW266.28 g/mol
LogP1.21
Rot. Bonds7

About 2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide

2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide (PubChem CID 83119646) has the molecular formula C11H15FN6O and a molecular weight of 266.28 g/mol. Its IUPAC name is 2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide.

Molecular Properties

Compound Name2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide
PubChem CID83119646
Molecular FormulaC11H15FN6O
Molecular Weight266.28 g/mol
Exact Mass266.13
IUPAC Name2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide
SMILESCC(NCCCN=[N+]=[N-])(C(N)=O)c1ccc(F)cn1
InChIInChI=1S/C11H15FN6O/c1-11(10(13)19,16-5-2-6-17-18-14)9-4-3-8(12)7-15-9/h3-4,7,16H,2,5-6H2,1H3,(H2,13,19)
InChIKeyIFNGSOCRJRKLFQ-UHFFFAOYSA-N
XLogP1.21
TPSA116.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.28
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

2-(3-azidopropylamino)-3-(4-fluorophenyl)-2-methylpropanamide
CID 114832222
2-(3-azidopropylamino)-2-(4-iodophenyl)propanamide
CID 114083108
2-(3-azidopropylamino)-2-(2-chloro-4-fluorophenyl)propanoic acid
CID 66190477
2-(3-azidopropylamino)-2-(4-methylsulfanylphenyl)propanoic acid
CID 66190491
2-(2-azidoethylamino)-2-(4-bromo-2-fluorophenyl)propanamide
CID 82967722
methyl 2-(ethylamino)-2-(5-fluoro-2-pyridinyl)propanoate
CID 83119735
ethyl 2-(3-azidopropylamino)-2-pyridin-3-ylpropanoate
CID 66189937
2-(3-azidopropylamino)-2-(2,5-dimethylphenyl)propanoic acid
CID 66190091
3-(ethylamino)-3-(5-fluoro-2-pyridinyl)butanamide
CID 83129036
ethyl 2-(5-fluoro-2-pyridinyl)-2-(methylamino)propanoate
CID 83119923
2-(3-azidopropylamino)-2-(4-tert-butylphenyl)acetamide
CID 66165567
ethyl 2-(3-azidopropylamino)-2-(4-chlorophenyl)propanoate
CID 66188930

Frequently Asked Questions

What is the IUPAC name of 2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide?
The IUPAC name of 2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide (CID 83119646) is 2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide.
What is the SMILES notation for 2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide?
The canonical SMILES for 2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide is CC(NCCCN=[N+]=[N-])(C(N)=O)c1ccc(F)cn1.
What is the InChIKey of 2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide?
The InChIKey is IFNGSOCRJRKLFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN6O/c1-11(10(13)19,16-5-2-6-17-18-14)9-4-3-8(12)7-15-9/h3-4,7,16H,2,5-6H2,1H3,(H2,13,19).
What are the key properties of 2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide?
2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide has a molecular weight of 266.28 g/mol, XLogP of 1.21, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-azidopropylamino)-2-(5-fluoro-2-pyridinyl)propanamide is sourced from PubChem (CID 83119646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).