5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide

C22H19FN6O2 — CID 53491797

IUPAC5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide
SMILESCOc1ccccc1NC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C22H19FN6O2/c1-31-19-7-3-2-6-18(19)26-22(30)29-21(25-13-15-8-10-17(23)11-9-15)27-20(28-29)16-5-4-12-24-14-16/h2-12,14H,13H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyQCLSDRFPXNGKKS-UHFFFAOYSA-N
MW418.43 g/mol
LogP4.18
Rot. Bonds6

About 5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide

5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide (PubChem CID 53491797) has the molecular formula C22H19FN6O2 and a molecular weight of 418.43 g/mol. Its IUPAC name is 5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide.

Molecular Properties

Compound Name5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide
PubChem CID53491797
Molecular FormulaC22H19FN6O2
Molecular Weight418.43 g/mol
Exact Mass418.16
IUPAC Name5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide
SMILESCOc1ccccc1NC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1
InChIInChI=1S/C22H19FN6O2/c1-31-19-7-3-2-6-18(19)26-22(30)29-21(25-13-15-8-10-17(23)11-9-15)27-20(28-29)16-5-4-12-24-14-16/h2-12,14H,13H2,1H3,(H,26,30)(H,25,27,28)
InChIKeyQCLSDRFPXNGKKS-UHFFFAOYSA-N
XLogP4.18
TPSA93.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide?
The IUPAC name of 5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide (CID 53491797) is 5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide.
What is the SMILES notation for 5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide?
The canonical SMILES for 5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide is COc1ccccc1NC(=O)n1nc(-c2cccnc2)nc1NCc1ccc(F)cc1.
What is the InChIKey of 5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide?
The InChIKey is QCLSDRFPXNGKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN6O2/c1-31-19-7-3-2-6-18(19)26-22(30)29-21(25-13-15-8-10-17(23)11-9-15)27-20(28-29)16-5-4-12-24-14-16/h2-12,14H,13H2,1H3,(H,26,30)(H,25,27,28).
What are the key properties of 5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide?
5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide has a molecular weight of 418.43 g/mol, XLogP of 4.18, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-fluorophenyl)methylamino]-N-(2-methoxyphenyl)-3-pyridin-3-yl-1,2,4-triazole-1-carboxamide is sourced from PubChem (CID 53491797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).