6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide

C25H21N7O — CID 55991423

IUPAC6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3-c3nc(-c4ccccc4)n[nH]3)cn2)n1
InChIInChI=1S/C25H21N7O/c1-16-14-17(2)32(31-16)22-13-12-19(15-26-22)25(33)27-21-11-7-6-10-20(21)24-28-23(29-30-24)18-8-4-3-5-9-18/h3-15H,1-2H3,(H,27,33)(H,28,29,30)
InChIKeyXGYWECIELHELGF-UHFFFAOYSA-N
MW435.49 g/mol
LogP4.59
Rot. Bonds5

About 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide

6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide (PubChem CID 55991423) has the molecular formula C25H21N7O and a molecular weight of 435.49 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide
PubChem CID55991423
Molecular FormulaC25H21N7O
Molecular Weight435.49 g/mol
Exact Mass435.18
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide
SMILESCc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3-c3nc(-c4ccccc4)n[nH]3)cn2)n1
InChIInChI=1S/C25H21N7O/c1-16-14-17(2)32(31-16)22-13-12-19(15-26-22)25(33)27-21-11-7-6-10-20(21)24-28-23(29-30-24)18-8-4-3-5-9-18/h3-15H,1-2H3,(H,27,33)(H,28,29,30)
InChIKeyXGYWECIELHELGF-UHFFFAOYSA-N
XLogP4.59
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.49
LogP ≤ 54.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide (CID 55991423) is 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide is Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3-c3nc(-c4ccccc4)n[nH]3)cn2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is XGYWECIELHELGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O/c1-16-14-17(2)32(31-16)22-13-12-19(15-26-22)25(33)27-21-11-7-6-10-20(21)24-28-23(29-30-24)18-8-4-3-5-9-18/h3-15H,1-2H3,(H,27,33)(H,28,29,30).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide?
6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 435.49 g/mol, XLogP of 4.59, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55991423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).