N-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide

C20H16N6O — CID 134142970

IUPACN-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2cccnc2)nn1)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C20H16N6O/c27-20(14-26-13-18(24-25-26)17-7-4-10-21-11-17)23-19-9-8-16(12-22-19)15-5-2-1-3-6-15/h1-13H,14H2,(H,22,23,27)
InChIKeyVIIKDUCUIJWMKL-UHFFFAOYSA-N
MW356.39 g/mol
LogP3.04
Rot. Bonds5

About N-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide

N-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide (PubChem CID 134142970) has the molecular formula C20H16N6O and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide
PubChem CID134142970
Molecular FormulaC20H16N6O
Molecular Weight356.39 g/mol
Exact Mass356.14
IUPAC NameN-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide
SMILESO=C(Cn1cc(-c2cccnc2)nn1)Nc1ccc(-c2ccccc2)cn1
InChIInChI=1S/C20H16N6O/c27-20(14-26-13-18(24-25-26)17-7-4-10-21-11-17)23-19-9-8-16(12-22-19)15-5-2-1-3-6-15/h1-13H,14H2,(H,22,23,27)
InChIKeyVIIKDUCUIJWMKL-UHFFFAOYSA-N
XLogP3.04
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide?
The IUPAC name of N-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide (CID 134142970) is N-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide.
What is the SMILES notation for N-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide?
The canonical SMILES for N-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide is O=C(Cn1cc(-c2cccnc2)nn1)Nc1ccc(-c2ccccc2)cn1.
What is the InChIKey of N-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide?
The InChIKey is VIIKDUCUIJWMKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O/c27-20(14-26-13-18(24-25-26)17-7-4-10-21-11-17)23-19-9-8-16(12-22-19)15-5-2-1-3-6-15/h1-13H,14H2,(H,22,23,27).
What are the key properties of N-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide?
N-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide has a molecular weight of 356.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-phenyl-2-pyridinyl)-2-(4-pyridin-3-yltriazol-1-yl)acetamide is sourced from PubChem (CID 134142970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).