5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide

C10H10FN5O — CID 113256537

IUPAC5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1cncc(F)c1
InChIInChI=1S/C10H10FN5O/c11-8-3-7(4-12-5-8)10(17)13-2-1-9-14-6-15-16-9/h3-6H,1-2H2,(H,13,17)(H,14,15,16)
InChIKeyWFMQIMMVNTUQHN-UHFFFAOYSA-N
MW235.22 g/mol
LogP0.31
Rot. Bonds4

About 5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide

5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide (PubChem CID 113256537) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is 5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
PubChem CID113256537
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC Name5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
SMILESO=C(NCCc1ncn[nH]1)c1cncc(F)c1
InChIInChI=1S/C10H10FN5O/c11-8-3-7(4-12-5-8)10(17)13-2-1-9-14-6-15-16-9/h3-6H,1-2H2,(H,13,17)(H,14,15,16)
InChIKeyWFMQIMMVNTUQHN-UHFFFAOYSA-N
XLogP0.31
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-3-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64531614
3-amino-2,5-difluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 107121133
4-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64523789
2-fluoro-6-hydroxy-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 104919903
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 64547392
3-hydroxy-4-methyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 64548149
2-bromo-5-fluoro-N-[3-(1H-1,2,4-triazol-5-yl)propyl]benzamide
CID 64545931
4-amino-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrazole-5-carboxamide
CID 64517006
5-bromo-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 55021438
N-[3-(1H-1,2,4-triazol-5-yl)propyl]pyridine-3-carboxamide
CID 64548665
1-[2-(4-fluorophenyl)ethyl]-3-[2-(1H-1,2,4-triazol-5-yl)ethyl]urea
CID 127267118
5-fluoro-N-[(E)-pent-3-enyl]pyridine-3-carboxamide
CID 115694724

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide (CID 113256537) is 5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide is O=C(NCCc1ncn[nH]1)c1cncc(F)c1.
What is the InChIKey of 5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
The InChIKey is WFMQIMMVNTUQHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O/c11-8-3-7(4-12-5-8)10(17)13-2-1-9-14-6-15-16-9/h3-6H,1-2H2,(H,13,17)(H,14,15,16).
What are the key properties of 5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide?
5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide has a molecular weight of 235.22 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 113256537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).