2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide

C17H18FN3O4 — CID 175078643

IUPAC2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide
SMILESCC(NCc1ccc(OCc2ncccc2F)c2c1OCO2)C(N)=O
InChIInChI=1S/C17H18FN3O4/c1-10(17(19)22)21-7-11-4-5-14(16-15(11)24-9-25-16)23-8-13-12(18)3-2-6-20-13/h2-6,10,21H,7-9H2,1H3,(H2,19,22)
InChIKeyMSYYFSJSYABTIX-UHFFFAOYSA-N
MW347.35 g/mol
LogP1.49
Rot. Bonds7

About 2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide

2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide (PubChem CID 175078643) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is 2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide.

Molecular Properties

Compound Name2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide
PubChem CID175078643
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide
SMILESCC(NCc1ccc(OCc2ncccc2F)c2c1OCO2)C(N)=O
InChIInChI=1S/C17H18FN3O4/c1-10(17(19)22)21-7-11-4-5-14(16-15(11)24-9-25-16)23-8-13-12(18)3-2-6-20-13/h2-6,10,21H,7-9H2,1H3,(H2,19,22)
InChIKeyMSYYFSJSYABTIX-UHFFFAOYSA-N
XLogP1.49
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide?
The IUPAC name of 2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide (CID 175078643) is 2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide.
What is the SMILES notation for 2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide?
The canonical SMILES for 2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide is CC(NCc1ccc(OCc2ncccc2F)c2c1OCO2)C(N)=O.
What is the InChIKey of 2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide?
The InChIKey is MSYYFSJSYABTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O4/c1-10(17(19)22)21-7-11-4-5-14(16-15(11)24-9-25-16)23-8-13-12(18)3-2-6-20-13/h2-6,10,21H,7-9H2,1H3,(H2,19,22).
What are the key properties of 2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide?
2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide has a molecular weight of 347.35 g/mol, XLogP of 1.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide is sourced from PubChem (CID 175078643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).