2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide

C17H16FN5O2 — CID 100830989

IUPAC2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(COc3ccccc3F)nn2)nc1
InChIInChI=1S/C17H16FN5O2/c1-12-6-7-16(19-8-12)20-17(24)10-23-9-13(21-22-23)11-25-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,20,24)
InChIKeyGOTGPFNNKFOKET-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.34
Rot. Bonds6

About 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide

2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide (PubChem CID 100830989) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
PubChem CID100830989
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide
SMILESCc1ccc(NC(=O)Cn2cc(COc3ccccc3F)nn2)nc1
InChIInChI=1S/C17H16FN5O2/c1-12-6-7-16(19-8-12)20-17(24)10-23-9-13(21-22-23)11-25-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,20,24)
InChIKeyGOTGPFNNKFOKET-UHFFFAOYSA-N
XLogP2.34
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(2-methylpropyl)acetamide
CID 100830965
ethyl 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetate
CID 166241840
N-butyl-2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetamide
CID 100830994
3-[[2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]acetyl]amino]-N-propan-2-ylpropanamide
CID 100830471
4-(2-fluorophenoxy)-N-(5-methyl-2-pyridinyl)butanamide
CID 52714969
2-[4-(aminomethyl)triazol-1-yl]-N-(5-fluoro-2-pyridinyl)acetamide
CID 113314224
2-[[2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetyl]amino]acetamide
CID 100830162
N-benzyl-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830188
N-[(2S)-butan-2-yl]-2-[4-[(2-methoxyphenoxy)methyl]triazol-1-yl]acetamide
CID 100830183
2-[4-(ethylaminomethyl)triazol-1-yl]-N-(2-fluorophenyl)acetamide
CID 66194658
2-[4-[(3-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 100831232
N-(2,6-difluorophenyl)-2-[4-(hydroxymethyl)triazol-1-yl]acetamide
CID 62399594

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide (CID 100830989) is 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide is Cc1ccc(NC(=O)Cn2cc(COc3ccccc3F)nn2)nc1.
What is the InChIKey of 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
The InChIKey is GOTGPFNNKFOKET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-12-6-7-16(19-8-12)20-17(24)10-23-9-13(21-22-23)11-25-15-5-3-2-4-14(15)18/h2-9H,10-11H2,1H3,(H,19,20,24).
What are the key properties of 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide?
2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide has a molecular weight of 341.35 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-fluorophenoxy)methyl]triazol-1-yl]-N-(5-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 100830989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).