N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide

C17H16FN5O2 — CID 167957587

IUPACN-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide
SMILESCOc1ccc(C)c(-c2cn(CC(=O)Nc3ccc(F)cn3)nn2)c1
InChIInChI=1S/C17H16FN5O2/c1-11-3-5-13(25-2)7-14(11)15-9-23(22-21-15)10-17(24)20-16-6-4-12(18)8-19-16/h3-9H,10H2,1-2H3,(H,19,20,24)
InChIKeyQFPCJUDEQULICA-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.43
Rot. Bonds5

About N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide

N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide (PubChem CID 167957587) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide
PubChem CID167957587
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC NameN-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide
SMILESCOc1ccc(C)c(-c2cn(CC(=O)Nc3ccc(F)cn3)nn2)c1
InChIInChI=1S/C17H16FN5O2/c1-11-3-5-13(25-2)7-14(11)15-9-23(22-21-15)10-17(24)20-16-6-4-12(18)8-19-16/h3-9H,10H2,1-2H3,(H,19,20,24)
InChIKeyQFPCJUDEQULICA-UHFFFAOYSA-N
XLogP2.43
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide?
The IUPAC name of N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide (CID 167957587) is N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide.
What is the SMILES notation for N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide?
The canonical SMILES for N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide is COc1ccc(C)c(-c2cn(CC(=O)Nc3ccc(F)cn3)nn2)c1.
What is the InChIKey of N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide?
The InChIKey is QFPCJUDEQULICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-11-3-5-13(25-2)7-14(11)15-9-23(22-21-15)10-17(24)20-16-6-4-12(18)8-19-16/h3-9H,10H2,1-2H3,(H,19,20,24).
What are the key properties of N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide?
N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide has a molecular weight of 341.35 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-pyridinyl)-2-[4-(5-methoxy-2-methylphenyl)triazol-1-yl]acetamide is sourced from PubChem (CID 167957587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).