3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid

C16H14F2N2O4 — CID 174775948

IUPAC3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)NCCC(=O)O)nc1-c1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2O4/c1-24-13-5-4-12(16(23)19-7-6-14(21)22)20-15(13)10-3-2-9(17)8-11(10)18/h2-5,8H,6-7H2,1H3,(H,19,23)(H,21,22)
InChIKeyCQFXNCJHUSQOJX-UHFFFAOYSA-N
MW336.29 g/mol
LogP2.24
Rot. Bonds6

About 3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid

3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid (PubChem CID 174775948) has the molecular formula C16H14F2N2O4 and a molecular weight of 336.29 g/mol. Its IUPAC name is 3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid
PubChem CID174775948
Molecular FormulaC16H14F2N2O4
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Name3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid
SMILESCOc1ccc(C(=O)NCCC(=O)O)nc1-c1ccc(F)cc1F
InChIInChI=1S/C16H14F2N2O4/c1-24-13-5-4-12(16(23)19-7-6-14(21)22)20-15(13)10-3-2-9(17)8-11(10)18/h2-5,8H,6-7H2,1H3,(H,19,23)(H,21,22)
InChIKeyCQFXNCJHUSQOJX-UHFFFAOYSA-N
XLogP2.24
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid?
The IUPAC name of 3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid (CID 174775948) is 3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid.
What is the SMILES notation for 3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid?
The canonical SMILES for 3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid is COc1ccc(C(=O)NCCC(=O)O)nc1-c1ccc(F)cc1F.
What is the InChIKey of 3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid?
The InChIKey is CQFXNCJHUSQOJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N2O4/c1-24-13-5-4-12(16(23)19-7-6-14(21)22)20-15(13)10-3-2-9(17)8-11(10)18/h2-5,8H,6-7H2,1H3,(H,19,23)(H,21,22).
What are the key properties of 3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid?
3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid has a molecular weight of 336.29 g/mol, XLogP of 2.24, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2,4-difluorophenyl)-5-methoxypyridine-2-carbonyl]amino]propanoic acid is sourced from PubChem (CID 174775948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).