N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide

C23H23FN2O3 — CID 110296450

IUPACN-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
SMILESCOc1ccc(CNC(=O)C(Cc2cccnc2)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C23H23FN2O3/c1-28-21-10-5-17(13-22(21)29-2)15-26-23(27)20(12-16-4-3-11-25-14-16)18-6-8-19(24)9-7-18/h3-11,13-14,20H,12,15H2,1-2H3,(H,26,27)
InChIKeyADVFHHPMAIPQLJ-UHFFFAOYSA-N
MW394.45 g/mol
LogP3.88
Rot. Bonds8

About N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide

N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide (PubChem CID 110296450) has the molecular formula C23H23FN2O3 and a molecular weight of 394.45 g/mol. Its IUPAC name is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide.

Molecular Properties

Compound NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
PubChem CID110296450
Molecular FormulaC23H23FN2O3
Molecular Weight394.45 g/mol
Exact Mass394.17
IUPAC NameN-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide
SMILESCOc1ccc(CNC(=O)C(Cc2cccnc2)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C23H23FN2O3/c1-28-21-10-5-17(13-22(21)29-2)15-26-23(27)20(12-16-4-3-11-25-14-16)18-6-8-19(24)9-7-18/h3-11,13-14,20H,12,15H2,1-2H3,(H,26,27)
InChIKeyADVFHHPMAIPQLJ-UHFFFAOYSA-N
XLogP3.88
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.45
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409718
2-(4-fluorophenyl)-N-(2-methoxy-5-methylphenyl)-3-pyridin-3-ylpropanamide
CID 110296494
N-[(3,4-dimethoxyphenyl)methyl]-N'-(pyridin-3-ylmethyl)propanediamide
CID 108947614
2-(4-fluorophenyl)-3-pyridin-2-yl-N-(pyridin-3-ylmethyl)propanamide
CID 110296305
N-[(3,4-dimethoxyphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 9269124
2-[(Z)-(1-amino-2-pyridin-3-ylethylidene)amino]oxy-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 132968535
N-[(4-methylphenyl)methyl]-2-phenyl-3-pyridin-3-ylpropanamide
CID 110409246
2-(4-chlorophenyl)-N-[(4-methylphenyl)methyl]-3-pyridin-3-ylpropanamide
CID 110296757
2-N-[(3,4-dimethoxyphenyl)methyl]-1-N-(pyridin-3-ylmethyl)cyclopropane-1,2-dicarboxamide
CID 109137034
1-[(3,4-dimethoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)guanidine
CID 111023378
2-(4-fluorophenyl)-N-[(2S)-1-hydroxypropan-2-yl]-3-pyridin-3-ylpropanamide
CID 110306923
N'-[(3,4-dimethoxyphenyl)methyl]-N-[(4-fluorophenyl)methyl]oxamide
CID 108984925

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide?
The IUPAC name of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide (CID 110296450) is N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide.
What is the SMILES notation for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide?
The canonical SMILES for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide is COc1ccc(CNC(=O)C(Cc2cccnc2)c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide?
The InChIKey is ADVFHHPMAIPQLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3/c1-28-21-10-5-17(13-22(21)29-2)15-26-23(27)20(12-16-4-3-11-25-14-16)18-6-8-19(24)9-7-18/h3-11,13-14,20H,12,15H2,1-2H3,(H,26,27).
What are the key properties of N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide?
N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide has a molecular weight of 394.45 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethoxyphenyl)methyl]-2-(4-fluorophenyl)-3-pyridin-3-ylpropanamide is sourced from PubChem (CID 110296450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).