3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide

C21H17FN2O4 — CID 55714007

IUPAC3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C21H17FN2O4/c22-15-3-6-17(7-4-15)28-21-10-5-16(12-23-21)24-20(25)9-2-14-1-8-18-19(11-14)27-13-26-18/h1,3-8,10-12H,2,9,13H2,(H,24,25)
InChIKeyGSGLNJUTERXSOL-UHFFFAOYSA-N
MW380.38 g/mol
LogP4.31
Rot. Bonds6

About 3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide

3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide (PubChem CID 55714007) has the molecular formula C21H17FN2O4 and a molecular weight of 380.38 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
PubChem CID55714007
Molecular FormulaC21H17FN2O4
Molecular Weight380.38 g/mol
Exact Mass380.12
IUPAC Name3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide
SMILESO=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Oc2ccc(F)cc2)nc1
InChIInChI=1S/C21H17FN2O4/c22-15-3-6-17(7-4-15)28-21-10-5-16(12-23-21)24-20(25)9-2-14-1-8-18-19(11-14)27-13-26-18/h1,3-8,10-12H,2,9,13H2,(H,24,25)
InChIKeyGSGLNJUTERXSOL-UHFFFAOYSA-N
XLogP4.31
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[3-(1,3-benzodioxol-5-yl)propanoylamino]phenyl]-2,2-dimethylpropanamide
CID 24641729
3-(1,3-benzodioxol-5-yl)-N-(4-nitrophenyl)propanamide
CID 18121776
N-(1,3-benzodioxol-5-yl)-3-pyridin-4-ylpropanamide
CID 110468454
N-(1,3-benzodioxol-5-ylmethyl)-N'-(4-fluorophenyl)propanediamide
CID 108947217
N-[6-[4-[2-(3-fluorophenyl)ethyl]phenoxy]-3-pyridinyl]-2-pyrrolidin-1-ylacetamide
CID 101364635
3-(4-aminophenyl)-N-(1,3-benzodioxol-5-yl)propanamide
CID 28713210
3-(1,3-benzodioxol-5-yl)-N-[3-chloro-4-(difluoromethoxy)phenyl]propanamide
CID 17496748
3-(1,3-benzodioxol-5-yl)-N-(2,3,4-trifluorophenyl)propanamide
CID 16574669
N-(1,3-benzodioxol-5-yl)-3-phenylpropanamide
CID 785916
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]-3-(4-methoxyphenyl)propanamide
CID 110370645
2-(1,3-benzodioxol-5-yl)-N-(4-ethoxyphenyl)acetamide
CID 87044762
3-(1,3-benzodioxol-5-yl)-N-(4,5-dimethyl-1H-pyrazol-3-yl)propanamide
CID 115594806

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide?
The IUPAC name of 3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide (CID 55714007) is 3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide?
The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide is O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Oc2ccc(F)cc2)nc1.
What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide?
The InChIKey is GSGLNJUTERXSOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN2O4/c22-15-3-6-17(7-4-15)28-21-10-5-16(12-23-21)24-20(25)9-2-14-1-8-18-19(11-14)27-13-26-18/h1,3-8,10-12H,2,9,13H2,(H,24,25).
What are the key properties of 3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide?
3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide has a molecular weight of 380.38 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-benzodioxol-5-yl)-N-[6-(4-fluorophenoxy)-3-pyridinyl]propanamide is sourced from PubChem (CID 55714007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).