N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

C14H10FN5O — CID 3785749

IUPACN-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C14H10FN5O/c15-11-3-1-2-4-12(11)19-14(21)10-5-6-13(17-7-10)20-9-16-8-18-20/h1-9H,(H,19,21)
InChIKeyIXRCQJJTSCHAFO-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.05
Rot. Bonds3

About N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (PubChem CID 3785749) has the molecular formula C14H10FN5O and a molecular weight of 283.27 g/mol. Its IUPAC name is N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
PubChem CID3785749
Molecular FormulaC14H10FN5O
Molecular Weight283.27 g/mol
Exact Mass283.09
IUPAC NameN-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1F)c1ccc(-n2cncn2)nc1
InChIInChI=1S/C14H10FN5O/c15-11-3-1-2-4-12(11)19-14(21)10-5-6-13(17-7-10)20-9-16-8-18-20/h1-9H,(H,19,21)
InChIKeyIXRCQJJTSCHAFO-UHFFFAOYSA-N
XLogP2.05
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide (CID 3785749) is N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is O=C(Nc1ccccc1F)c1ccc(-n2cncn2)nc1.
What is the InChIKey of N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
The InChIKey is IXRCQJJTSCHAFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O/c15-11-3-1-2-4-12(11)19-14(21)10-5-6-13(17-7-10)20-9-16-8-18-20/h1-9H,(H,19,21).
What are the key properties of N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide?
N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide has a molecular weight of 283.27 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 3785749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).