N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

C16H15FN4O2 — CID 86920976

IUPACN-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCN(Cc1cccc(F)c1)C(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C16H15FN4O2/c1-19(10-12-5-4-6-13(17)9-12)15(22)11-21-16(23)20-8-3-2-7-14(20)18-21/h2-9H,10-11H2,1H3
InChIKeyUQJPWBYSSMJKJA-UHFFFAOYSA-N
MW314.32 g/mol
LogP1.29
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide

N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (PubChem CID 86920976) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
PubChem CID86920976
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC NameN-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
SMILESCN(Cc1cccc(F)c1)C(=O)Cn1nc2ccccn2c1=O
InChIInChI=1S/C16H15FN4O2/c1-19(10-12-5-4-6-13(17)9-12)15(22)11-21-16(23)20-8-3-2-7-14(20)18-21/h2-9H,10-11H2,1H3
InChIKeyUQJPWBYSSMJKJA-UHFFFAOYSA-N
XLogP1.29
TPSA59.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide (CID 86920976) is N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is CN(Cc1cccc(F)c1)C(=O)Cn1nc2ccccn2c1=O.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
The InChIKey is UQJPWBYSSMJKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c1-19(10-12-5-4-6-13(17)9-12)15(22)11-21-16(23)20-8-3-2-7-14(20)18-21/h2-9H,10-11H2,1H3.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide?
N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide has a molecular weight of 314.32 g/mol, XLogP of 1.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-methyl-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide is sourced from PubChem (CID 86920976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).