N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide

C28H32N2O2 — CID 167637439

IUPACN-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide
SMILESCCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)cc2)cc1
InChIInChI=1S/C28H32N2O2/c1-5-19-30(28(32)6-2)26-16-13-24(14-17-26)23-9-11-25(12-10-23)27(31)18-15-22-8-7-20(3)29-21(22)4/h7-14,16-17H,5-6,15,18-19H2,1-4H3
InChIKeyZGDBILWPJLHCMG-UHFFFAOYSA-N
MW428.58 g/mol
LogP6.33
Rot. Bonds9

About N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide

N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide (PubChem CID 167637439) has the molecular formula C28H32N2O2 and a molecular weight of 428.58 g/mol. Its IUPAC name is N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide.

Molecular Properties

Compound NameN-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide
PubChem CID167637439
Molecular FormulaC28H32N2O2
Molecular Weight428.58 g/mol
Exact Mass428.25
IUPAC NameN-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide
SMILESCCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)cc2)cc1
InChIInChI=1S/C28H32N2O2/c1-5-19-30(28(32)6-2)26-16-13-24(14-17-26)23-9-11-25(12-10-23)27(31)18-15-22-8-7-20(3)29-21(22)4/h7-14,16-17H,5-6,15,18-19H2,1-4H3
InChIKeyZGDBILWPJLHCMG-UHFFFAOYSA-N
XLogP6.33
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.58
LogP ≤ 56.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]-3-fluorophenyl]-N-methylpropanamide
CID 167703750
N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide
CID 167548435
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-(2-methoxyethyl)propanamide
CID 167554100
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide
CID 167667597
(2,6-dimethyl-3-pyridinyl)methanamine;3-(2,6-dimethyl-3-pyridinyl)-1-[4-(1-propanoyl-2,3-dihydroindol-5-yl)phenyl]propan-1-one;4-(1-propanoyl-2,3-dihydroindol-5-yl)benzoic acid
CID 167576848
3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
CID 167657886
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide
CID 167595216
N-[4-[4-[3-(2,6-difluoro-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]-3-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-3-methylphenyl]phenyl]-N-methylpropanamide;N-[4-[3-fluoro-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167656944
N-[3-fluoro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167602133
N-[3-chloro-4-[5-[3-(6-fluoro-2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]-N-methylpropanamide
CID 167531654
N-[4-[2-hydroxy-4-[3-(2-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167711632
N-(4-ethoxyphenyl)-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-N-propylpropanamide
CID 15989742

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide?
The IUPAC name of N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide (CID 167637439) is N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide.
What is the SMILES notation for N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide?
The canonical SMILES for N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide is CCCN(C(=O)CC)c1ccc(-c2ccc(C(=O)CCc3ccc(C)nc3C)cc2)cc1.
What is the InChIKey of N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide?
The InChIKey is ZGDBILWPJLHCMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O2/c1-5-19-30(28(32)6-2)26-16-13-24(14-17-26)23-9-11-25(12-10-23)27(31)18-15-22-8-7-20(3)29-21(22)4/h7-14,16-17H,5-6,15,18-19H2,1-4H3.
What are the key properties of N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide?
N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide has a molecular weight of 428.58 g/mol, XLogP of 6.33, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-[3-(2,6-dimethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-propylpropanamide is sourced from PubChem (CID 167637439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).