5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide

C18H12FN5O2 — CID 86992044

IUPAC5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H12FN5O2/c19-12-6-4-11(5-7-12)14-8-9-15(26-14)17(25)22-18-21-16(23-24-18)13-3-1-2-10-20-13/h1-10H,(H2,21,22,23,24,25)
InChIKeyMMHBVNAMQCQXHX-UHFFFAOYSA-N
MW349.33 g/mol
LogP3.52
Rot. Bonds4

About 5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide

5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide (PubChem CID 86992044) has the molecular formula C18H12FN5O2 and a molecular weight of 349.33 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
PubChem CID86992044
Molecular FormulaC18H12FN5O2
Molecular Weight349.33 g/mol
Exact Mass349.10
IUPAC Name5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
SMILESO=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(-c2ccc(F)cc2)o1
InChIInChI=1S/C18H12FN5O2/c19-12-6-4-11(5-7-12)14-8-9-15(26-14)17(25)22-18-21-16(23-24-18)13-3-1-2-10-20-13/h1-10H,(H2,21,22,23,24,25)
InChIKeyMMHBVNAMQCQXHX-UHFFFAOYSA-N
XLogP3.52
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.33
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide (CID 86992044) is 5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide is O=C(Nc1n[nH]c(-c2ccccn2)n1)c1ccc(-c2ccc(F)cc2)o1.
What is the InChIKey of 5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide?
The InChIKey is MMHBVNAMQCQXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O2/c19-12-6-4-11(5-7-12)14-8-9-15(26-14)17(25)22-18-21-16(23-24-18)13-3-1-2-10-20-13/h1-10H,(H2,21,22,23,24,25).
What are the key properties of 5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide?
5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide has a molecular weight of 349.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide is sourced from PubChem (CID 86992044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).