N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide

C20H26FN3O2 — CID 55743125

IUPACN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCCN(CC)c1ccc(CNC(=O)CCc2ccc(OC)c(F)c2)cn1
InChIInChI=1S/C20H26FN3O2/c1-4-24(5-2)19-10-7-16(13-22-19)14-23-20(25)11-8-15-6-9-18(26-3)17(21)12-15/h6-7,9-10,12-13H,4-5,8,11,14H2,1-3H3,(H,23,25)
InChIKeyGLNIGPFTKUHSRM-UHFFFAOYSA-N
MW359.45 g/mol
LogP3.32
Rot. Bonds9

About N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide

N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide (PubChem CID 55743125) has the molecular formula C20H26FN3O2 and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide.

Molecular Properties

Compound NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
PubChem CID55743125
Molecular FormulaC20H26FN3O2
Molecular Weight359.45 g/mol
Exact Mass359.20
IUPAC NameN-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
SMILESCCN(CC)c1ccc(CNC(=O)CCc2ccc(OC)c(F)c2)cn1
InChIInChI=1S/C20H26FN3O2/c1-4-24(5-2)19-10-7-16(13-22-19)14-23-20(25)11-8-15-6-9-18(26-3)17(21)12-15/h6-7,9-10,12-13H,4-5,8,11,14H2,1-3H3,(H,23,25)
InChIKeyGLNIGPFTKUHSRM-UHFFFAOYSA-N
XLogP3.32
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-fluoro-4-methoxyphenyl)-N-[[6-(4-fluorophenoxy)-3-pyridinyl]methyl]propanamide
CID 55800518
N-[[4-(dimethylamino)phenyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide
CID 51275994
1-[[6-(diethylamino)-3-pyridinyl]methyl]-3-[2-(3,4-dimethoxyphenyl)ethyl]urea
CID 55769818
3-(3-fluoro-4-methoxyphenyl)-N-[(3-methylphenyl)methyl]propanamide
CID 134003498
methyl 4-[(3-fluoro-4-methoxyphenyl)methylamino]-4-oxobutanoate
CID 94696051
3-(3-fluoro-4-methoxyphenyl)-N-[3-(methylamino)propyl]propanamide;hydrochloride
CID 119430182
2-[2-[[3-(3-fluoro-4-methoxyphenyl)propanoylamino]methyl]phenoxy]acetic acid
CID 75429383
N-(3-aminopropyl)-3-(3-fluoro-4-methoxyphenyl)propanamide;hydrochloride
CID 119405460
N-[[6-(diethylamino)-3-pyridinyl]methyl]-2-methoxy-5-sulfamoylbenzamide
CID 55848290
2-(4-aminophenyl)-N-[[6-(diethylamino)-3-pyridinyl]methyl]acetamide
CID 119846342
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)propanamide
CID 47057541
4-(3-fluoro-4-methoxyphenyl)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]butanamide
CID 71922903

Frequently Asked Questions

What is the IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The IUPAC name of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide (CID 55743125) is N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide.
What is the SMILES notation for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The canonical SMILES for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide is CCN(CC)c1ccc(CNC(=O)CCc2ccc(OC)c(F)c2)cn1.
What is the InChIKey of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
The InChIKey is GLNIGPFTKUHSRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O2/c1-4-24(5-2)19-10-7-16(13-22-19)14-23-20(25)11-8-15-6-9-18(26-3)17(21)12-15/h6-7,9-10,12-13H,4-5,8,11,14H2,1-3H3,(H,23,25).
What are the key properties of N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide?
N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide has a molecular weight of 359.45 g/mol, XLogP of 3.32, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(diethylamino)-3-pyridinyl]methyl]-3-(3-fluoro-4-methoxyphenyl)propanamide is sourced from PubChem (CID 55743125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).