N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide

C23H20FN5O2 — CID 122172046

IUPACN-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H20FN5O2/c1-2-31-20-9-3-16(4-10-20)15-26-23(30)21-22(17-11-13-25-14-12-17)29(28-27-21)19-7-5-18(24)6-8-19/h3-14H,2,15H2,1H3,(H,26,30)
InChIKeyIFNRZZGFXIMWAC-UHFFFAOYSA-N
MW417.44 g/mol
LogP3.80
Rot. Bonds7

About N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide

N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide (PubChem CID 122172046) has the molecular formula C23H20FN5O2 and a molecular weight of 417.44 g/mol. Its IUPAC name is N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
PubChem CID122172046
Molecular FormulaC23H20FN5O2
Molecular Weight417.44 g/mol
Exact Mass417.16
IUPAC NameN-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
SMILESCCOc1ccc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2-c2ccncc2)cc1
InChIInChI=1S/C23H20FN5O2/c1-2-31-20-9-3-16(4-10-20)15-26-23(30)21-22(17-11-13-25-14-12-17)29(28-27-21)19-7-5-18(24)6-8-19/h3-14H,2,15H2,1H3,(H,26,30)
InChIKeyIFNRZZGFXIMWAC-UHFFFAOYSA-N
XLogP3.80
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.44
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123572
N-benzyl-1-(4-ethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53123710
N-butyl-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 53036920
1-(3-methoxyphenyl)-N-[(4-propoxyphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide
CID 53332564
1-(4-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-5-pyridin-4-yltriazole-4-carboxamide
CID 95091553
1-(4-fluoro-3-methylphenyl)-5-pyridin-4-yl-N-(pyridin-4-ylmethyl)triazole-4-carboxamide
CID 53123737
1-(3,4-dimethylphenyl)-N-[(4-methylphenyl)methyl]-5-pyridin-4-yltriazole-4-carboxamide
CID 45498528
N-[(4-chlorophenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-3-yltriazole-4-carboxamide
CID 53125141
5-amino-N-[(4-chlorophenyl)methyl]-1-(4-ethoxyphenyl)triazole-4-carboxamide
CID 17014891
1-(3,4-dimethylphenyl)-N-[(4-fluorophenyl)methyl]-5-pyridin-3-yltriazole-4-carboxamide
CID 53125231
1-(4-fluorophenyl)-5-pyridin-4-yl-N-(2-thiophen-2-ylethyl)triazole-4-carboxamide
CID 53123571
N-[(3,4-dimethoxyphenyl)methyl]-1-(3,4-dimethylphenyl)-5-pyridin-4-yltriazole-4-carboxamide
CID 45498531

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide?
The IUPAC name of N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide (CID 122172046) is N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide.
What is the SMILES notation for N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide?
The canonical SMILES for N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide is CCOc1ccc(CNC(=O)c2nnn(-c3ccc(F)cc3)c2-c2ccncc2)cc1.
What is the InChIKey of N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide?
The InChIKey is IFNRZZGFXIMWAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN5O2/c1-2-31-20-9-3-16(4-10-20)15-26-23(30)21-22(17-11-13-25-14-12-17)29(28-27-21)19-7-5-18(24)6-8-19/h3-14H,2,15H2,1H3,(H,26,30).
What are the key properties of N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide?
N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide has a molecular weight of 417.44 g/mol, XLogP of 3.80, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethoxyphenyl)methyl]-1-(4-fluorophenyl)-5-pyridin-4-yltriazole-4-carboxamide is sourced from PubChem (CID 122172046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).