N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide

C26H28N2O3 — CID 167607738

IUPACN-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)Cc1ccc(-c2ccc(C(=O)CCc3cccnc3OC)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-4-25(30)28(2)18-19-7-9-20(10-8-19)21-11-13-22(14-12-21)24(29)16-15-23-6-5-17-27-26(23)31-3/h5-14,17H,4,15-16,18H2,1-3H3
InChIKeyDEPAFRNLTBRYNJ-UHFFFAOYSA-N
MW416.52 g/mol
LogP4.94
Rot. Bonds9

About N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide

N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide (PubChem CID 167607738) has the molecular formula C26H28N2O3 and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide.

Molecular Properties

Compound NameN-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide
PubChem CID167607738
Molecular FormulaC26H28N2O3
Molecular Weight416.52 g/mol
Exact Mass416.21
IUPAC NameN-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide
SMILESCCC(=O)N(C)Cc1ccc(-c2ccc(C(=O)CCc3cccnc3OC)cc2)cc1
InChIInChI=1S/C26H28N2O3/c1-4-25(30)28(2)18-19-7-9-20(10-8-19)21-11-13-22(14-12-21)24(29)16-15-23-6-5-17-27-26(23)31-3/h5-14,17H,4,15-16,18H2,1-3H3
InChIKeyDEPAFRNLTBRYNJ-UHFFFAOYSA-N
XLogP4.94
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[[4-[5-[3-(2-methyl-3-pyridinyl)propanoyl]-2-pyridinyl]phenyl]methyl]propanamide
CID 167602726
N-methyl-N-[[4-[6-[3-(2-methyl-3-pyridinyl)propanoyl]-3-pyridinyl]phenyl]methyl]propanamide
CID 167700140
N-[4-[4-[3-(6-chloro-3-pyridinyl)propanoyl]phenyl]-2-fluorophenyl]-N-ethylpropanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide;N-ethyl-N-[2-fluoro-4-[4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]propanamide
CID 167631163
2-ethoxy-N-[(2-methoxy-3-pyridinyl)methyl]-N-methylacetamide
CID 53185000
N-[4-[4-[3-(2-ethyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-(2-methoxyethyl)propanamide
CID 167548435
N-[2,3-difluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167556264
3-(2-chloro-3-pyridinyl)-1-[4-[4-[methyl(propyl)amino]phenyl]phenyl]propan-1-one
CID 167657886
N-[4-[4-[3-(2-amino-3-pyridinyl)propanoyl]-2-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]-2-methylphenyl]-2-fluorophenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-methylphenyl]phenyl]-N-methylpropanamide;N-[2-fluoro-4-[2-methyl-4-[3-(6-methyl-3-pyridinyl)propanoyl]phenyl]phenyl]-N-methylpropanamide
CID 167663575
N-[(2-methoxy-3-pyridinyl)methyl]-N,2,2-trimethylbutanamide
CID 121446669
N-[4-[5-[3-(2-amino-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-fluoro-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide;N-[4-[5-[3-(2-methoxy-3-pyridinyl)propanoyl]-2-pyridinyl]-3-methylphenyl]-N-methylpropanamide
CID 167646445
N-methyl-N-[2-[4-(3-pyridin-3-ylpropanoyl)phenyl]pyrimidin-5-yl]propanamide
CID 167542434
N-[4-[4-[3-(2-chloro-3-pyridinyl)propanoyl]phenyl]-2,3-difluorophenyl]-N-methylpropanamide
CID 167556265

Frequently Asked Questions

What is the IUPAC name of N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide?
The IUPAC name of N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide (CID 167607738) is N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide.
What is the SMILES notation for N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide?
The canonical SMILES for N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide is CCC(=O)N(C)Cc1ccc(-c2ccc(C(=O)CCc3cccnc3OC)cc2)cc1.
What is the InChIKey of N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide?
The InChIKey is DEPAFRNLTBRYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3/c1-4-25(30)28(2)18-19-7-9-20(10-8-19)21-11-13-22(14-12-21)24(29)16-15-23-6-5-17-27-26(23)31-3/h5-14,17H,4,15-16,18H2,1-3H3.
What are the key properties of N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide?
N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide has a molecular weight of 416.52 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[4-[3-(2-methoxy-3-pyridinyl)propanoyl]phenyl]phenyl]methyl]-N-methylpropanamide is sourced from PubChem (CID 167607738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).