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

C28H23N3O — CID 72545079

IUPAC2-[3-(4-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(C#N)cc4)c3)cc2)ccn1
InChIInChI=1S/C28H23N3O/c1-19-16-26(14-15-30-19)23-10-12-27(13-11-23)31-28(32)20(2)24-4-3-5-25(17-24)22-8-6-21(18-29)7-9-22/h3-17,20H,1-2H3,(H,31,32)
InChIKeyBMQWUHSGYNFQJZ-UHFFFAOYSA-N
MW417.51 g/mol
LogP6.34
Rot. Bonds5

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

2-[3-(4-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (PubChem CID 72545079) has the molecular formula C28H23N3O and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[3-(4-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-(4-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
PubChem CID72545079
Molecular FormulaC28H23N3O
Molecular Weight417.51 g/mol
Exact Mass417.18
IUPAC Name2-[3-(4-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(C#N)cc4)c3)cc2)ccn1
InChIInChI=1S/C28H23N3O/c1-19-16-26(14-15-30-19)23-10-12-27(13-11-23)31-28(32)20(2)24-4-3-5-25(17-24)22-8-6-21(18-29)7-9-22/h3-17,20H,1-2H3,(H,31,32)
InChIKeyBMQWUHSGYNFQJZ-UHFFFAOYSA-N
XLogP6.34
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 56.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The IUPAC name of 2-[3-(4-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (CID 72545079) is 2-[3-(4-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.
What is the SMILES notation for 2-[3-(4-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The canonical SMILES for 2-[3-(4-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is Cc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4ccc(C#N)cc4)c3)cc2)ccn1.
What is the InChIKey of 2-[3-(4-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The InChIKey is BMQWUHSGYNFQJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O/c1-19-16-26(14-15-30-19)23-10-12-27(13-11-23)31-28(32)20(2)24-4-3-5-25(17-24)22-8-6-21(18-29)7-9-22/h3-17,20H,1-2H3,(H,31,32).
What are the key properties of 2-[3-(4-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
2-[3-(4-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide has a molecular weight of 417.51 g/mol, XLogP of 6.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 72545079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).