N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide

C22H18FN5O — CID 146650376

IUPACN-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nc(-c2ncccc2C)nn1-c1cccc(F)c1
InChIInChI=1S/C22H18FN5O/c1-14-7-3-4-11-18(14)21(29)26-22-25-20(19-15(2)8-6-12-24-19)27-28(22)17-10-5-9-16(23)13-17/h3-13H,1-2H3,(H,25,26,27,29)
InChIKeyPZKIKKDHVSLFIL-UHFFFAOYSA-N
MW387.42 g/mol
LogP4.34
Rot. Bonds4

About N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide

N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide (PubChem CID 146650376) has the molecular formula C22H18FN5O and a molecular weight of 387.42 g/mol. Its IUPAC name is N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide
PubChem CID146650376
Molecular FormulaC22H18FN5O
Molecular Weight387.42 g/mol
Exact Mass387.15
IUPAC NameN-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide
SMILESCc1ccccc1C(=O)Nc1nc(-c2ncccc2C)nn1-c1cccc(F)c1
InChIInChI=1S/C22H18FN5O/c1-14-7-3-4-11-18(14)21(29)26-22-25-20(19-15(2)8-6-12-24-19)27-28(22)17-10-5-9-16(23)13-17/h3-13H,1-2H3,(H,25,26,27,29)
InChIKeyPZKIKKDHVSLFIL-UHFFFAOYSA-N
XLogP4.34
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.42
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide?
The IUPAC name of N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide (CID 146650376) is N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide?
The canonical SMILES for N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide is Cc1ccccc1C(=O)Nc1nc(-c2ncccc2C)nn1-c1cccc(F)c1.
What is the InChIKey of N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide?
The InChIKey is PZKIKKDHVSLFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN5O/c1-14-7-3-4-11-18(14)21(29)26-22-25-20(19-15(2)8-6-12-24-19)27-28(22)17-10-5-9-16(23)13-17/h3-13H,1-2H3,(H,25,26,27,29).
What are the key properties of N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide?
N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide has a molecular weight of 387.42 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-fluorophenyl)-5-(3-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]-2-methylbenzamide is sourced from PubChem (CID 146650376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).