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

C14H10FN5O — CID 39890507

IUPACN-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccnc(-n2cnnc2)c1
InChIInChI=1S/C14H10FN5O/c15-11-1-3-12(4-2-11)19-14(21)10-5-6-16-13(7-10)20-8-17-18-9-20/h1-9H,(H,19,21)
InChIKeyFBUMLQQDERPIMG-UHFFFAOYSA-N
MW283.27 g/mol
LogP2.05
Rot. Bonds3

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

N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (PubChem CID 39890507) has the molecular formula C14H10FN5O and a molecular weight of 283.27 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
PubChem CID39890507
Molecular FormulaC14H10FN5O
Molecular Weight283.27 g/mol
Exact Mass283.09
IUPAC NameN-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1)c1ccnc(-n2cnnc2)c1
InChIInChI=1S/C14H10FN5O/c15-11-1-3-12(4-2-11)19-14(21)10-5-6-16-13(7-10)20-8-17-18-9-20/h1-9H,(H,19,21)
InChIKeyFBUMLQQDERPIMG-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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Related Compounds

N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 39890492
ethane;N-(4-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide;molecular hydrogen
CID 166481214
3-[[2-(1,2,4-triazol-4-yl)pyridine-4-carbonyl]amino]benzoic acid
CID 5306824
N-(2-iodophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 6497093
N-(4-ethylphenyl)-2-imidazol-1-ylpyridine-4-carboxamide
CID 87010836
N-(4-iodo-2-methylphenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide
CID 6497099
4-N-(4-fluorophenyl)-2-N-(4-methylphenyl)pyridine-2,4-dicarboxamide
CID 109091349
3-bromo-N-(4-fluorophenyl)-6-(1,2,4-triazol-4-yl)pyridine-2-carboxamide
CID 22587050
N-(4-fluorophenyl)-3-methylbenzimidazole-5-carboxamide
CID 110469160
N-(4-fluorophenyl)-2-[(3R)-3-phenylpiperazin-1-yl]pyridine-4-carboxamide
CID 95105368
4-fluoro-N-[4-[(6-imidazol-1-ylpyrimidin-4-yl)amino]phenyl]benzamide
CID 121073828
N-(4-fluorophenyl)-2-(4-methylpiperazine-1-carbonyl)pyridine-4-carboxamide
CID 109084353

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide (CID 39890507) is N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is O=C(Nc1ccc(F)cc1)c1ccnc(-n2cnnc2)c1.
What is the InChIKey of N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
The InChIKey is FBUMLQQDERPIMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10FN5O/c15-11-1-3-12(4-2-11)19-14(21)10-5-6-16-13(7-10)20-8-17-18-9-20/h1-9H,(H,19,21).
What are the key properties of N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide?
N-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-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-(4-fluorophenyl)-2-(1,2,4-triazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 39890507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).