2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide

C16H15N5O — CID 164614550

IUPAC2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)cc(Cc3ccccc3)n2)nn1
InChIInChI=1S/C16H15N5O/c1-21-10-15(19-20-21)14-9-12(16(17)22)8-13(18-14)7-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H2,17,22)
InChIKeyNHQUTFHEUWTKHK-UHFFFAOYSA-N
MW293.33 g/mol
LogP1.57
Rot. Bonds4

About 2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide

2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide (PubChem CID 164614550) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
PubChem CID164614550
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(N)=O)cc(Cc3ccccc3)n2)nn1
InChIInChI=1S/C16H15N5O/c1-21-10-15(19-20-21)14-9-12(16(17)22)8-13(18-14)7-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H2,17,22)
InChIKeyNHQUTFHEUWTKHK-UHFFFAOYSA-N
XLogP1.57
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide (CID 164614550) is 2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide is Cn1cc(-c2cc(C(N)=O)cc(Cc3ccccc3)n2)nn1.
What is the InChIKey of 2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
The InChIKey is NHQUTFHEUWTKHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-21-10-15(19-20-21)14-9-12(16(17)22)8-13(18-14)7-11-5-3-2-4-6-11/h2-6,8-10H,7H2,1H3,(H2,17,22).
What are the key properties of 2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide?
2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide has a molecular weight of 293.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(1-methyltriazol-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 164614550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).