2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide

C19H17FN4O2 — CID 122246686

IUPAC2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide
SMILESCC(Oc1ccccc1F)C(=O)NCc1nccnc1-c1cccnc1
InChIInChI=1S/C19H17FN4O2/c1-13(26-17-7-3-2-6-15(17)20)19(25)24-12-16-18(23-10-9-22-16)14-5-4-8-21-11-14/h2-11,13H,12H2,1H3,(H,24,25)
InChIKeyOTBQFLGXAIEYSU-UHFFFAOYSA-N
MW352.37 g/mol
LogP2.76
Rot. Bonds6

About 2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide

2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide (PubChem CID 122246686) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide.

Molecular Properties

Compound Name2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide
PubChem CID122246686
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide
SMILESCC(Oc1ccccc1F)C(=O)NCc1nccnc1-c1cccnc1
InChIInChI=1S/C19H17FN4O2/c1-13(26-17-7-3-2-6-15(17)20)19(25)24-12-16-18(23-10-9-22-16)14-5-4-8-21-11-14/h2-11,13H,12H2,1H3,(H,24,25)
InChIKeyOTBQFLGXAIEYSU-UHFFFAOYSA-N
XLogP2.76
TPSA77.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1,3-benzodioxol-5-yloxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide
CID 122246687
N-[(4,6-dimethoxy-1,3,5-triazin-2-yl)methyl]-2-(2-fluorophenoxy)propanamide
CID 121137500
(2R)-2-(2-fluorophenoxy)-N-[(4-methoxyphenyl)methyl]propanamide
CID 7892059
2-(2-fluorophenoxy)-N-(1H-pyrrol-3-ylmethyl)propanamide
CID 106385142
(2S)-2-(4-fluorophenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 40624060
5-[2-(2-fluorophenoxy)propanoylamino]-2-methylpentanoic acid
CID 104682391
2-(4-phenylphenoxy)-N-(pyridin-3-ylmethyl)propanamide
CID 4512766
2-(2-fluorophenoxy)-N-[2-(methylamino)propyl]propanamide;hydrochloride
CID 120830406
2-(2-fluorophenoxy)-N-(5-hydroxypentyl)propanamide
CID 107318363
1-[2-(2-fluorophenoxy)propyl]-3-[(3-methyl-2-pyridinyl)methyl]urea
CID 71868329
(2S)-2-(2-fluorophenoxy)-N-[[4-(2-methyl-5-pyridin-4-ylpyrimidin-4-yl)cyclohexyl]methyl]propanamide
CID 98132255
4-[2-(2-fluorophenoxy)propanoylamino]-2-hydroxybutanoic acid
CID 107832248

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide?
The IUPAC name of 2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide (CID 122246686) is 2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide.
What is the SMILES notation for 2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide?
The canonical SMILES for 2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide is CC(Oc1ccccc1F)C(=O)NCc1nccnc1-c1cccnc1.
What is the InChIKey of 2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide?
The InChIKey is OTBQFLGXAIEYSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-13(26-17-7-3-2-6-15(17)20)19(25)24-12-16-18(23-10-9-22-16)14-5-4-8-21-11-14/h2-11,13H,12H2,1H3,(H,24,25).
What are the key properties of 2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide?
2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide has a molecular weight of 352.37 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenoxy)-N-[(3-pyridin-3-ylpyrazin-2-yl)methyl]propanamide is sourced from PubChem (CID 122246686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).