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

C21H23N5O2 — CID 164618820

IUPAC2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-yl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NC3CCOCC3)cc(Cc3ccccc3)n2)nn1
InChIInChI=1S/C21H23N5O2/c1-26-14-20(24-25-26)19-13-16(21(27)23-17-7-9-28-10-8-17)12-18(22-19)11-15-5-3-2-4-6-15/h2-6,12-14,17H,7-11H2,1H3,(H,23,27)
InChIKeyREDSIISSBNGTTK-UHFFFAOYSA-N
MW377.45 g/mol
LogP2.38
Rot. Bonds5

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

2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-yl)pyridine-4-carboxamide (PubChem CID 164618820) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-yl)pyridine-4-carboxamide
PubChem CID164618820
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-yl)pyridine-4-carboxamide
SMILESCn1cc(-c2cc(C(=O)NC3CCOCC3)cc(Cc3ccccc3)n2)nn1
InChIInChI=1S/C21H23N5O2/c1-26-14-20(24-25-26)19-13-16(21(27)23-17-7-9-28-10-8-17)12-18(22-19)11-15-5-3-2-4-6-15/h2-6,12-14,17H,7-11H2,1H3,(H,23,27)
InChIKeyREDSIISSBNGTTK-UHFFFAOYSA-N
XLogP2.38
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-yl)pyridine-4-carboxamide?
The IUPAC name of 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-yl)pyridine-4-carboxamide (CID 164618820) is 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-yl)pyridine-4-carboxamide.
What is the SMILES notation for 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-yl)pyridine-4-carboxamide?
The canonical SMILES for 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-yl)pyridine-4-carboxamide is Cn1cc(-c2cc(C(=O)NC3CCOCC3)cc(Cc3ccccc3)n2)nn1.
What is the InChIKey of 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-yl)pyridine-4-carboxamide?
The InChIKey is REDSIISSBNGTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c1-26-14-20(24-25-26)19-13-16(21(27)23-17-7-9-28-10-8-17)12-18(22-19)11-15-5-3-2-4-6-15/h2-6,12-14,17H,7-11H2,1H3,(H,23,27).
What are the key properties of 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-yl)pyridine-4-carboxamide?
2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-yl)pyridine-4-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-6-(1-methyltriazol-4-yl)-N-(oxan-4-yl)pyridine-4-carboxamide is sourced from PubChem (CID 164618820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).