1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide

C20H15FN6O2 — CID 75466886

IUPAC1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide
SMILESO=C(Nc1ncccc1OCc1ccncc1)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C20H15FN6O2/c21-15-3-5-16(6-4-15)27-12-17(25-26-27)20(28)24-19-18(2-1-9-23-19)29-13-14-7-10-22-11-8-14/h1-12H,13H2,(H,23,24,28)
InChIKeyLNYKBAWVGSMYSS-UHFFFAOYSA-N
MW390.38 g/mol
LogP3.03
Rot. Bonds6

About 1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide

1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide (PubChem CID 75466886) has the molecular formula C20H15FN6O2 and a molecular weight of 390.38 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide
PubChem CID75466886
Molecular FormulaC20H15FN6O2
Molecular Weight390.38 g/mol
Exact Mass390.12
IUPAC Name1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide
SMILESO=C(Nc1ncccc1OCc1ccncc1)c1cn(-c2ccc(F)cc2)nn1
InChIInChI=1S/C20H15FN6O2/c21-15-3-5-16(6-4-15)27-12-17(25-26-27)20(28)24-19-18(2-1-9-23-19)29-13-14-7-10-22-11-8-14/h1-12H,13H2,(H,23,24,28)
InChIKeyLNYKBAWVGSMYSS-UHFFFAOYSA-N
XLogP3.03
TPSA94.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.38
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-(4-fluorophenyl)-N-[3-(2,2,3,3-tetrafluoropropoxymethyl)phenyl]triazole-4-carboxamide
CID 86881382
N'-(1-phenyltriazole-4-carbonyl)pyridine-2-carbohydrazide
CID 46407148
N-[(4-fluorophenyl)methyl]-1-(4-methylphenyl)triazole-4-carboxamide
CID 38957071
1-(4-ethylphenyl)-N-[(4-fluorophenyl)methyl]triazole-4-carboxamide
CID 53332740
1-(4-fluorophenyl)-N-[2-(4-fluorophenyl)-2-hydroxyethyl]triazole-4-carboxamide
CID 110922720
N'-(2,3-difluorophenyl)-1-(4-fluorophenyl)triazole-4-carbohydrazide
CID 141406245
methyl 3-(pyridin-4-ylmethoxy)pyridine-2-carboxylate
CID 59152590
2-(3-methoxyphenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]acetamide
CID 51108863
1-phenyl-N-(1H-pyrazol-4-yl)triazole-4-carboxamide
CID 43429821
1-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)triazole-4-carboxamide
CID 111441794
N'-[4-[(4-ethoxyphenoxy)methyl]benzoyl]-1-phenyltriazole-4-carbohydrazide
CID 43066169
1-(4-fluorophenyl)-N-(4-hydroxy-2,2-dimethylpentyl)triazole-4-carboxamide
CID 111480696

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide (CID 75466886) is 1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide is O=C(Nc1ncccc1OCc1ccncc1)c1cn(-c2ccc(F)cc2)nn1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide?
The InChIKey is LNYKBAWVGSMYSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN6O2/c21-15-3-5-16(6-4-15)27-12-17(25-26-27)20(28)24-19-18(2-1-9-23-19)29-13-14-7-10-22-11-8-14/h1-12H,13H2,(H,23,24,28).
What are the key properties of 1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide?
1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide has a molecular weight of 390.38 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[3-(pyridin-4-ylmethoxy)-2-pyridinyl]triazole-4-carboxamide is sourced from PubChem (CID 75466886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).