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

C28H23N3O — CID 67309019

IUPAC2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4cccc(C#N)c4)c3)cc2)ccn1
InChIInChI=1S/C28H23N3O/c1-19-15-26(13-14-30-19)22-9-11-27(12-10-22)31-28(32)20(2)23-6-4-8-25(17-23)24-7-3-5-21(16-24)18-29/h3-17,20H,1-2H3,(H,31,32)
InChIKeyTXJRQLUWERMPAI-UHFFFAOYSA-N
MW417.51 g/mol
LogP6.34
Rot. Bonds5

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

2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (PubChem CID 67309019) has the molecular formula C28H23N3O and a molecular weight of 417.51 g/mol. Its IUPAC name is 2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.

Molecular Properties

Compound Name2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
PubChem CID67309019
Molecular FormulaC28H23N3O
Molecular Weight417.51 g/mol
Exact Mass417.18
IUPAC Name2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
SMILESCc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4cccc(C#N)c4)c3)cc2)ccn1
InChIInChI=1S/C28H23N3O/c1-19-15-26(13-14-30-19)22-9-11-27(12-10-22)31-28(32)20(2)23-6-4-8-25(17-23)24-7-3-5-21(16-24)18-29/h3-17,20H,1-2H3,(H,31,32)
InChIKeyTXJRQLUWERMPAI-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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Related Compounds

1-[1-(3-cyanophenyl)ethyl]-3-[4-(2-methyl-4-pyridinyl)phenyl]urea
CID 67053091
ethane;2-[3-[6-(methylamino)-3-pyridinyl]phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 143818025
(2R)-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]propanamide
CID 67308603
(2R)-2-(3-fluoro-4-phenylphenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67307773
N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-nitrophenyl)propanamide
CID 67308595
2-(6-methoxynaphthalen-2-yl)-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide
CID 67308427
4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-(4-phenylphenyl)pentanamide
CID 67309518
3-[3-[4-(2-methyl-4-pyridinyl)phenyl]-2-oxopropyl]benzonitrile
CID 58267146
2-(3-fluorophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]butanamide
CID 42638599
(2S)-2-(3-bromophenyl)-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 123178305
2-(2-bromoanilino)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]pentanamide
CID 58335435
2-(3-aminophenyl)-N-(4-methylphenyl)propanamide
CID 106590701

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The IUPAC name of 2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide (CID 67309019) is 2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide.
What is the SMILES notation for 2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The canonical SMILES for 2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is Cc1cc(-c2ccc(NC(=O)C(C)c3cccc(-c4cccc(C#N)c4)c3)cc2)ccn1.
What is the InChIKey of 2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
The InChIKey is TXJRQLUWERMPAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N3O/c1-19-15-26(13-14-30-19)22-9-11-27(12-10-22)31-28(32)20(2)23-6-4-8-25(17-23)24-7-3-5-21(16-24)18-29/h3-17,20H,1-2H3,(H,31,32).
What are the key properties of 2-[3-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide?
2-[3-(3-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-(3-cyanophenyl)phenyl]-N-[4-(2-methyl-4-pyridinyl)phenyl]propanamide is sourced from PubChem (CID 67309019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).