N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide

C26H23N3O — CID 72545565

IUPACN-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4cccnc4)c3)cc2)ccn1
InChIInChI=1S/C26H23N3O/c1-18-15-23(12-14-28-18)20-8-10-25(11-9-20)29-26(30)19(2)21-5-3-6-22(16-21)24-7-4-13-27-17-24/h3-17,19H,1-2H3,(H,29,30)
InChIKeyWSNWFQAQZHAUFE-UHFFFAOYSA-N
MW393.49 g/mol
LogP5.86
Rot. Bonds5

About N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide

N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide (PubChem CID 72545565) has the molecular formula C26H23N3O and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide.

Molecular Properties

Compound NameN-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide
PubChem CID72545565
Molecular FormulaC26H23N3O
Molecular Weight393.49 g/mol
Exact Mass393.18
IUPAC NameN-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4cccnc4)c3)cc2)ccn1
InChIInChI=1S/C26H23N3O/c1-18-15-23(12-14-28-18)20-8-10-25(11-9-20)29-26(30)19(2)21-5-3-6-22(16-21)24-7-4-13-27-17-24/h3-17,19H,1-2H3,(H,29,30)
InChIKeyWSNWFQAQZHAUFE-UHFFFAOYSA-N
XLogP5.86
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.49
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide?
The IUPAC name of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide (CID 72545565) is N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide.
What is the SMILES notation for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide?
The canonical SMILES for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide is Cc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4cccnc4)c3)cc2)ccn1.
What is the InChIKey of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide?
The InChIKey is WSNWFQAQZHAUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O/c1-18-15-23(12-14-28-18)20-8-10-25(11-9-20)29-26(30)19(2)21-5-3-6-22(16-21)24-7-4-13-27-17-24/h3-17,19H,1-2H3,(H,29,30).
What are the key properties of N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide?
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide has a molecular weight of 393.49 g/mol, XLogP of 5.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(3-pyridin-3-ylphenyl)propanamide is sourced from PubChem (CID 72545565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).