N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide

C21H15F2N5O — CID 53125173

IUPACN-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1-c1cccnc1
InChIInChI=1S/C21H15F2N5O/c1-13-11-16(23)6-9-18(13)25-21(29)19-20(14-3-2-10-24-12-14)28(27-26-19)17-7-4-15(22)5-8-17/h2-12H,1H3,(H,25,29)
InChIKeySUNARRYBQXFJEA-UHFFFAOYSA-N
MW391.38 g/mol
LogP4.17
Rot. Bonds4

About N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide

N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide (PubChem CID 53125173) has the molecular formula C21H15F2N5O and a molecular weight of 391.38 g/mol. Its IUPAC name is N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
PubChem CID53125173
Molecular FormulaC21H15F2N5O
Molecular Weight391.38 g/mol
Exact Mass391.12
IUPAC NameN-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
SMILESCc1cc(F)ccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1-c1cccnc1
InChIInChI=1S/C21H15F2N5O/c1-13-11-16(23)6-9-18(13)25-21(29)19-20(14-3-2-10-24-12-14)28(27-26-19)17-7-4-15(22)5-8-17/h2-12H,1H3,(H,25,29)
InChIKeySUNARRYBQXFJEA-UHFFFAOYSA-N
XLogP4.17
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.38
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125169
1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carboxamide
CID 53125231
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125141
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290
N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067744
1-(3-fluoro-4-methylphenyl)-N-(4-fluoro-2-methylphenyl)-5-methyltriazole-4-carboxamide
CID 7246369
1-(4-fluorophenyl)-N-(2-methylphenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067775
1-(4-fluorophenyl)-5-methyl-N-(2-methylphenyl)triazole-4-carboxamide
CID 6464147
1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide
CID 53037091
N-benzyl-1-(4-methylsulfanylphenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125258
1-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]-5-pyridin-3-yltriazole-4-carboxamide
CID 53332549
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24608440

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide?
The IUPAC name of N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide (CID 53125173) is N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide.
What is the SMILES notation for N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide?
The canonical SMILES for N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide is Cc1cc(F)ccc1NC(=O)c1nnn(-c2ccc(F)cc2)c1-c1cccnc1.
What is the InChIKey of N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide?
The InChIKey is SUNARRYBQXFJEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F2N5O/c1-13-11-16(23)6-9-18(13)25-21(29)19-20(14-3-2-10-24-12-14)28(27-26-19)17-7-4-15(22)5-8-17/h2-12H,1H3,(H,25,29).
What are the key properties of N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide?
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide has a molecular weight of 391.38 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 53125173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).