3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

C17H16FN5O2 — CID 47057785

IUPAC3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1F
InChIInChI=1S/C17H16FN5O2/c1-25-14-7-5-11(10-12(14)18)6-8-15(24)20-17-21-16(22-23-17)13-4-2-3-9-19-13/h2-5,7,9-10H,6,8H2,1H3,(H2,20,21,22,23,24)
InChIKeyCVGCZQIRIQMMGJ-UHFFFAOYSA-N
MW341.35 g/mol
LogP2.59
Rot. Bonds6

About 3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide

3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (PubChem CID 47057785) has the molecular formula C17H16FN5O2 and a molecular weight of 341.35 g/mol. Its IUPAC name is 3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
PubChem CID47057785
Molecular FormulaC17H16FN5O2
Molecular Weight341.35 g/mol
Exact Mass341.13
IUPAC Name3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide
SMILESCOc1ccc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1F
InChIInChI=1S/C17H16FN5O2/c1-25-14-7-5-11(10-12(14)18)6-8-15(24)20-17-21-16(22-23-17)13-4-2-3-9-19-13/h2-5,7,9-10H,6,8H2,1H3,(H2,20,21,22,23,24)
InChIKeyCVGCZQIRIQMMGJ-UHFFFAOYSA-N
XLogP2.59
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.35
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The IUPAC name of 3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide (CID 47057785) is 3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide.
What is the SMILES notation for 3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The canonical SMILES for 3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is COc1ccc(CCC(=O)Nc2n[nH]c(-c3ccccn3)n2)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
The InChIKey is CVGCZQIRIQMMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O2/c1-25-14-7-5-11(10-12(14)18)6-8-15(24)20-17-21-16(22-23-17)13-4-2-3-9-19-13/h2-5,7,9-10H,6,8H2,1H3,(H2,20,21,22,23,24).
What are the key properties of 3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide?
3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide has a molecular weight of 341.35 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methoxyphenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)propanamide is sourced from PubChem (CID 47057785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).