2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide

C14H15FN4O — CID 62734371

IUPAC2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide
SMILESNC(=O)CN(Cc1cccc(N)c1)c1ncccc1F
InChIInChI=1S/C14H15FN4O/c15-12-5-2-6-18-14(12)19(9-13(17)20)8-10-3-1-4-11(16)7-10/h1-7H,8-9,16H2,(H2,17,20)
InChIKeyDENUDJLZZHUAGJ-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.29
Rot. Bonds5

About 2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide

2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide (PubChem CID 62734371) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound Name2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide
PubChem CID62734371
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide
SMILESNC(=O)CN(Cc1cccc(N)c1)c1ncccc1F
InChIInChI=1S/C14H15FN4O/c15-12-5-2-6-18-14(12)19(9-13(17)20)8-10-3-1-4-11(16)7-10/h1-7H,8-9,16H2,(H2,17,20)
InChIKeyDENUDJLZZHUAGJ-UHFFFAOYSA-N
XLogP1.29
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide?
The IUPAC name of 2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide (CID 62734371) is 2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for 2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide?
The canonical SMILES for 2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide is NC(=O)CN(Cc1cccc(N)c1)c1ncccc1F.
What is the InChIKey of 2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide?
The InChIKey is DENUDJLZZHUAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-12-5-2-6-18-14(12)19(9-13(17)20)8-10-3-1-4-11(16)7-10/h1-7H,8-9,16H2,(H2,17,20).
What are the key properties of 2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide?
2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide has a molecular weight of 274.30 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-aminophenyl)methyl-(3-fluoro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 62734371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).