N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide

C20H12F3N5O — CID 53125169

IUPACN-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1nnn(-c2ccc(F)cc2)c1-c1cccnc1
InChIInChI=1S/C20H12F3N5O/c21-13-3-6-15(7-4-13)28-19(12-2-1-9-24-11-12)18(26-27-28)20(29)25-17-8-5-14(22)10-16(17)23/h1-11H,(H,25,29)
InChIKeyFWBOYMOWKPNXOU-UHFFFAOYSA-N
MW395.34 g/mol
LogP4.00
Rot. Bonds4

About N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide

N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide (PubChem CID 53125169) has the molecular formula C20H12F3N5O and a molecular weight of 395.34 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
PubChem CID53125169
Molecular FormulaC20H12F3N5O
Molecular Weight395.34 g/mol
Exact Mass395.10
IUPAC NameN-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1nnn(-c2ccc(F)cc2)c1-c1cccnc1
InChIInChI=1S/C20H12F3N5O/c21-13-3-6-15(7-4-13)28-19(12-2-1-9-24-11-12)18(26-27-28)20(29)25-17-8-5-14(22)10-16(17)23/h1-11H,(H,25,29)
InChIKeyFWBOYMOWKPNXOU-UHFFFAOYSA-N
XLogP4.00
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.34
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125173
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125141
1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carboxamide
CID 53125231
1-(4-chlorophenyl)-N-propan-2-yl-5-pyridin-3-yltriazole-4-carboxamide
CID 53037091
1-(4-chlorophenyl)-N-[(3-methylphenyl)methyl]-5-pyridin-3-yltriazole-4-carboxamide
CID 53332549
N-[(3-bromophenyl)methyl]-1-(4-chlorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53332540
N-benzyl-1-(4-methylsulfanylphenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125258
N-(2,4-difluorophenyl)-5-methyl-1-(2-methylphenyl)triazole-4-carboxamide
CID 7184924
1-(4-chlorophenyl)-N-(3-ethoxypropyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125132
N-(4-chloro-2-methylphenyl)-1-(4-fluorophenyl)-5-pyridin-3-ylpyrazole-3-carboxamide
CID 53067744
1-(4-propan-2-ylphenyl)-5-pyridin-3-yltriazole-4-carboxylic acid
CID 53489601
1-(2,4-difluorophenyl)-3-(2-pyridin-3-yl-1H-indol-3-yl)urea
CID 46386740

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide?
The IUPAC name of N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide (CID 53125169) is N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide?
The canonical SMILES for N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide is O=C(Nc1ccc(F)cc1F)c1nnn(-c2ccc(F)cc2)c1-c1cccnc1.
What is the InChIKey of N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide?
The InChIKey is FWBOYMOWKPNXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5O/c21-13-3-6-15(7-4-13)28-19(12-2-1-9-24-11-12)18(26-27-28)20(29)25-17-8-5-14(22)10-16(17)23/h1-11H,(H,25,29).
What are the key properties of N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide?
N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide has a molecular weight of 395.34 g/mol, XLogP of 4.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide is sourced from PubChem (CID 53125169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).