3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid

C21H17F2N3O5 — CID 142465205

IUPAC3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N(c1c(F)ccc(-c2ccccc2)c1F)c1c(O)cc[nH]c1=O
InChIInChI=1S/C21H17F2N3O5/c22-14-7-6-13(12-4-2-1-3-5-12)17(23)18(14)26(21(31)25-11-9-16(28)29)19-15(27)8-10-24-20(19)30/h1-8,10H,9,11H2,(H,25,31)(H,28,29)(H2,24,27,30)
InChIKeySZAVBXDAYPZEIC-UHFFFAOYSA-N
MW429.38 g/mol
LogP3.35
Rot. Bonds6

About 3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid

3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid (PubChem CID 142465205) has the molecular formula C21H17F2N3O5 and a molecular weight of 429.38 g/mol. Its IUPAC name is 3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid
PubChem CID142465205
Molecular FormulaC21H17F2N3O5
Molecular Weight429.38 g/mol
Exact Mass429.11
IUPAC Name3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid
SMILESO=C(O)CCNC(=O)N(c1c(F)ccc(-c2ccccc2)c1F)c1c(O)cc[nH]c1=O
InChIInChI=1S/C21H17F2N3O5/c22-14-7-6-13(12-4-2-1-3-5-12)17(23)18(14)26(21(31)25-11-9-16(28)29)19-15(27)8-10-24-20(19)30/h1-8,10H,9,11H2,(H,25,31)(H,28,29)(H2,24,27,30)
InChIKeySZAVBXDAYPZEIC-UHFFFAOYSA-N
XLogP3.35
TPSA122.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.38
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid
CID 175005266
3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid
CID 175002379
3-[[[3-(2,4-difluorophenyl)phenyl]-(7-hydroxy-4-methyl-5-oxothieno[3,2-b]pyridin-6-yl)carbamoyl]amino]propanoic acid
CID 175002269
3-[(2-hydroxyphenyl)carbamoylamino]propanoic acid
CID 117235776
3-[[[3-(4-chlorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid
CID 175005351
3-[[(3,4-difluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 122019411
3-[[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-[3-methyl-5-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]amino]propanoic acid
CID 175002039
3-[[(2-fluorophenyl)methyl-prop-2-enylcarbamoyl]amino]propanoic acid
CID 122019259
3-[[[3-(2,4-difluorophenyl)phenyl]-[(3S)-1-methyl-4-oxo-3,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-3-yl]carbamoyl]amino]propanoic acid
CID 175002474
3-phenyl-1H-pyrrole-2-carbohydrazide
CID 90424323
3-[[butyl-[(2-fluorophenyl)methyl]carbamoyl]amino]propanoic acid
CID 122019066
tert-butyl 3-[[[4-(2,4-difluorophenyl)phenyl]-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoate
CID 175005295

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid (CID 142465205) is 3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid is O=C(O)CCNC(=O)N(c1c(F)ccc(-c2ccccc2)c1F)c1c(O)cc[nH]c1=O.
What is the InChIKey of 3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid?
The InChIKey is SZAVBXDAYPZEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N3O5/c22-14-7-6-13(12-4-2-1-3-5-12)17(23)18(14)26(21(31)25-11-9-16(28)29)19-15(27)8-10-24-20(19)30/h1-8,10H,9,11H2,(H,25,31)(H,28,29)(H2,24,27,30).
What are the key properties of 3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid?
3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid has a molecular weight of 429.38 g/mol, XLogP of 3.35, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,6-difluoro-3-phenylphenyl)-(4-hydroxy-2-oxo-1H-pyridin-3-yl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 142465205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).