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

C17H18FN3O4 — CID 151124871

IUPAC(2S)-2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide
SMILESC[C@H](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)/t10-/m0/s1
InChIKeyMSYYFSJSYABTIX-JTQLQIEISA-N
MW347.35 g/mol
LogP1.49
Rot. Bonds7

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

(2S)-2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide (PubChem CID 151124871) has the molecular formula C17H18FN3O4 and a molecular weight of 347.35 g/mol. Its IUPAC name is (2S)-2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide.

Molecular Properties

Compound Name(2S)-2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide
PubChem CID151124871
Molecular FormulaC17H18FN3O4
Molecular Weight347.35 g/mol
Exact Mass347.13
IUPAC Name(2S)-2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide
SMILESC[C@H](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)/t10-/m0/s1
InChIKeyMSYYFSJSYABTIX-JTQLQIEISA-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

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

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Related Compounds

2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide
CID 175078643
(2S)-2-[[7-[(4-fluorophenyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide
CID 148616843
2-[[7-[(6-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide
CID 175081323
2-[[7-[(3-iodophenyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide
CID 175078666
(2S)-2-[[7-[(3-nitrophenyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide
CID 151996395
(2S)-2-[[7-(cyclohexylmethoxy)-1,3-benzodioxol-4-yl]methylamino]propanamide
CID 150068761
[7-[[[(2S)-1-amino-1-oxopropan-2-yl]amino]methyl]-1,3-benzodioxol-4-yl] 3-fluorobenzoate
CID 151646408
(2S)-2-[[3-[(2-fluorophenyl)methoxy]-1,2-oxazol-5-yl]methylamino]propanamide
CID 67670217
2-[(2-propan-2-yloxyphenyl)methylamino]propanamide
CID 43232563
2-[[4-[(2-fluorophenyl)methoxy]phenyl]methylamino]propanamide;hydrochloride
CID 67125309
methyl 2-[(3-methyl-2-pyridinyl)methylamino]propanoate
CID 63305760
3-[(3-fluoro-2-pyridinyl)methoxy]pyridine-4-carboxylic acid
CID 175485081

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide?
The IUPAC name of (2S)-2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide (CID 151124871) is (2S)-2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide.
What is the SMILES notation for (2S)-2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide?
The canonical SMILES for (2S)-2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide is C[C@H](NCc1ccc(OCc2ncccc2F)c2c1OCO2)C(N)=O.
What is the InChIKey of (2S)-2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide?
The InChIKey is MSYYFSJSYABTIX-JTQLQIEISA-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)/t10-/m0/s1.
What are the key properties of (2S)-2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide?
(2S)-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 (2S)-2-[[7-[(3-fluoro-2-pyridinyl)methoxy]-1,3-benzodioxol-4-yl]methylamino]propanamide is sourced from PubChem (CID 151124871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).