2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide

C14H15FN4O — CID 61311799

IUPAC2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccccc1N)c1ccc(F)cn1
InChIInChI=1S/C14H15FN4O/c15-11-5-6-14(18-7-11)19(9-13(17)20)8-10-3-1-2-4-12(10)16/h1-7H,8-9,16H2,(H2,17,20)
InChIKeyWPZJFDXAVBKLSV-UHFFFAOYSA-N
MW274.30 g/mol
LogP1.29
Rot. Bonds5

About 2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide

2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide (PubChem CID 61311799) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide
PubChem CID61311799
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide
SMILESNC(=O)CN(Cc1ccccc1N)c1ccc(F)cn1
InChIInChI=1S/C14H15FN4O/c15-11-5-6-14(18-7-11)19(9-13(17)20)8-10-3-1-2-4-12(10)16/h1-7H,8-9,16H2,(H2,17,20)
InChIKeyWPZJFDXAVBKLSV-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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Related Compounds

2-[(2-aminophenyl)methyl-pyrimidin-4-ylamino]acetamide
CID 61253793
2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide
CID 62700876
2-[(2-aminophenyl)methyl-[(2-fluorophenyl)methyl]amino]acetamide
CID 43461380
2-[(2-aminophenyl)methyl-(5-bromo-3-methyl-2-pyridinyl)amino]acetamide
CID 79713139
N-[(2-aminophenyl)methyl]-N-ethyl-5-fluoropyrimidin-2-amine
CID 113432149
2-[(2-aminophenyl)methyl-(5-methyl-1,3,4-thiadiazol-2-yl)amino]acetamide
CID 65208045
2-[(2-aminophenyl)methyl-(1-methyltetrazol-5-yl)amino]acetamide
CID 63149898
2-[acetyl-[(2-aminophenyl)methyl]amino]acetamide
CID 43461279
2-[(2-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939184
N,N-bis(2-amino-2-oxoethyl)-2-(2-aminophenyl)acetamide
CID 55157593
2-[(3-aminophenyl)methyl-(5-bromo-2-pyridinyl)amino]acetamide
CID 60875903
2-[[3-(aminomethyl)-2-fluorophenyl]methyl-(2-amino-2-oxoethyl)amino]acetamide
CID 107113368

Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide?
The IUPAC name of 2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide (CID 61311799) is 2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide.
What is the SMILES notation for 2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide?
The canonical SMILES for 2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide is NC(=O)CN(Cc1ccccc1N)c1ccc(F)cn1.
What is the InChIKey of 2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide?
The InChIKey is WPZJFDXAVBKLSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c15-11-5-6-14(18-7-11)19(9-13(17)20)8-10-3-1-2-4-12(10)16/h1-7H,8-9,16H2,(H2,17,20).
What are the key properties of 2-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide?
2-[(2-aminophenyl)methyl-(5-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-[(2-aminophenyl)methyl-(5-fluoro-2-pyridinyl)amino]acetamide is sourced from PubChem (CID 61311799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).