2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide

C25H22N4O — CID 58447771

IUPAC2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide
SMILESCc1cc(-c2ncc(CC(=O)Nc3ccc(-c4ccccc4)nc3)cc2C)ccn1
InChIInChI=1S/C25H22N4O/c1-17-12-19(15-28-25(17)21-10-11-26-18(2)13-21)14-24(30)29-22-8-9-23(27-16-22)20-6-4-3-5-7-20/h3-13,15-16H,14H2,1-2H3,(H,29,30)
InChIKeyNMELJLZDJAFBMJ-UHFFFAOYSA-N
MW394.48 g/mol
LogP5.00
Rot. Bonds5

About 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide

2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide (PubChem CID 58447771) has the molecular formula C25H22N4O and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide
PubChem CID58447771
Molecular FormulaC25H22N4O
Molecular Weight394.48 g/mol
Exact Mass394.18
IUPAC Name2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide
SMILESCc1cc(-c2ncc(CC(=O)Nc3ccc(-c4ccccc4)nc3)cc2C)ccn1
InChIInChI=1S/C25H22N4O/c1-17-12-19(15-28-25(17)21-10-11-26-18(2)13-21)14-24(30)29-22-8-9-23(27-16-22)20-6-4-3-5-7-20/h3-13,15-16H,14H2,1-2H3,(H,29,30)
InChIKeyNMELJLZDJAFBMJ-UHFFFAOYSA-N
XLogP5.00
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.48
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide (CID 58447771) is 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide is Cc1cc(-c2ncc(CC(=O)Nc3ccc(-c4ccccc4)nc3)cc2C)ccn1.
What is the InChIKey of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide?
The InChIKey is NMELJLZDJAFBMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O/c1-17-12-19(15-28-25(17)21-10-11-26-18(2)13-21)14-24(30)29-22-8-9-23(27-16-22)20-6-4-3-5-7-20/h3-13,15-16H,14H2,1-2H3,(H,29,30).
What are the key properties of 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide?
2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-N-(6-phenyl-3-pyridinyl)acetamide is sourced from PubChem (CID 58447771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).