N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide

C18H20N6O — CID 71917447

IUPACN-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide
SMILESCN(C)c1ncccc1N(C)C(=O)Cn1cc(-c2ccccc2)nn1
InChIInChI=1S/C18H20N6O/c1-22(2)18-16(10-7-11-19-18)23(3)17(25)13-24-12-15(20-21-24)14-8-5-4-6-9-14/h4-12H,13H2,1-3H3
InChIKeyZZLYXBBJOIMBJO-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.07
Rot. Bonds5

About N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide

N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide (PubChem CID 71917447) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide
PubChem CID71917447
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide
SMILESCN(C)c1ncccc1N(C)C(=O)Cn1cc(-c2ccccc2)nn1
InChIInChI=1S/C18H20N6O/c1-22(2)18-16(10-7-11-19-18)23(3)17(25)13-24-12-15(20-21-24)14-8-5-4-6-9-14/h4-12H,13H2,1-3H3
InChIKeyZZLYXBBJOIMBJO-UHFFFAOYSA-N
XLogP2.07
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide?
The IUPAC name of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide (CID 71917447) is N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide?
The canonical SMILES for N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide is CN(C)c1ncccc1N(C)C(=O)Cn1cc(-c2ccccc2)nn1.
What is the InChIKey of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide?
The InChIKey is ZZLYXBBJOIMBJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-22(2)18-16(10-7-11-19-18)23(3)17(25)13-24-12-15(20-21-24)14-8-5-4-6-9-14/h4-12H,13H2,1-3H3.
What are the key properties of N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide?
N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide has a molecular weight of 336.40 g/mol, XLogP of 2.07, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-3-pyridinyl]-N-methyl-2-(4-phenyltriazol-1-yl)acetamide is sourced from PubChem (CID 71917447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).