N-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide

C18H19N5O — CID 71917517

IUPACN-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
SMILESCN(CCc1ccccn1)C(=O)Cn1cc(-c2ccccc2)nn1
InChIInChI=1S/C18H19N5O/c1-22(12-10-16-9-5-6-11-19-16)18(24)14-23-13-17(20-21-23)15-7-3-2-4-8-15/h2-9,11,13H,10,12,14H2,1H3
InChIKeyZAQFYLHRXPPBNT-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.04
Rot. Bonds6

About N-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide

N-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide (PubChem CID 71917517) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is N-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide.

Molecular Properties

Compound NameN-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
PubChem CID71917517
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC NameN-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide
SMILESCN(CCc1ccccn1)C(=O)Cn1cc(-c2ccccc2)nn1
InChIInChI=1S/C18H19N5O/c1-22(12-10-16-9-5-6-11-19-16)18(24)14-23-13-17(20-21-23)15-7-3-2-4-8-15/h2-9,11,13H,10,12,14H2,1H3
InChIKeyZAQFYLHRXPPBNT-UHFFFAOYSA-N
XLogP2.04
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The IUPAC name of N-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide (CID 71917517) is N-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide.
What is the SMILES notation for N-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The canonical SMILES for N-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide is CN(CCc1ccccn1)C(=O)Cn1cc(-c2ccccc2)nn1.
What is the InChIKey of N-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
The InChIKey is ZAQFYLHRXPPBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-22(12-10-16-9-5-6-11-19-16)18(24)14-23-13-17(20-21-23)15-7-3-2-4-8-15/h2-9,11,13H,10,12,14H2,1H3.
What are the key properties of N-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide?
N-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide has a molecular weight of 321.38 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-phenyltriazol-1-yl)-N-(2-pyridin-2-ylethyl)acetamide is sourced from PubChem (CID 71917517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).