3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid

C20H17F2N3O5S — CID 175005266

IUPAC3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid
SMILESCn1ccc(O)c(N(C(=O)NCCC(=O)O)c2ccc(-c3cc(F)ccc3F)s2)c1=O
InChIInChI=1S/C20H17F2N3O5S/c1-24-9-7-14(26)18(19(24)29)25(20(30)23-8-6-17(27)28)16-5-4-15(31-16)12-10-11(21)2-3-13(12)22/h2-5,7,9-10,26H,6,8H2,1H3,(H,23,30)(H,27,28)
InChIKeyYYHUEJGHNDSTAS-UHFFFAOYSA-N
MW449.44 g/mol
LogP3.42
Rot. Bonds6

About 3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid

3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid (PubChem CID 175005266) has the molecular formula C20H17F2N3O5S and a molecular weight of 449.44 g/mol. Its IUPAC name is 3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid
PubChem CID175005266
Molecular FormulaC20H17F2N3O5S
Molecular Weight449.44 g/mol
Exact Mass449.09
IUPAC Name3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid
SMILESCn1ccc(O)c(N(C(=O)NCCC(=O)O)c2ccc(-c3cc(F)ccc3F)s2)c1=O
InChIInChI=1S/C20H17F2N3O5S/c1-24-9-7-14(26)18(19(24)29)25(20(30)23-8-6-17(27)28)16-5-4-15(31-16)12-10-11(21)2-3-13(12)22/h2-5,7,9-10,26H,6,8H2,1H3,(H,23,30)(H,27,28)
InChIKeyYYHUEJGHNDSTAS-UHFFFAOYSA-N
XLogP3.42
TPSA111.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[5-(2,5-difluorophenyl)thiophen-2-yl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid
CID 135366607
3-[[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-[3-methoxy-5-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid
CID 175002335
3-[[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)-[3-methyl-5-[3-(trifluoromethoxy)phenyl]phenyl]carbamoyl]amino]propanoic acid
CID 175002039
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-[[[3-(4-chlorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid
CID 175005351
tert-butyl 3-[[[4-(2,4-difluorophenyl)phenyl]-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoate
CID 175005295
3-[[[3-(2,4-difluorophenyl)phenyl]-[(6S)-4-methyl-5,7-dioxothieno[3,2-b]pyridin-6-yl]carbamoyl]amino]propanoic acid
CID 175006248
(3S)-3-[5-(2,4-difluorophenyl)-2-fluorophenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid
CID 135365940
3-[5-(2,4-difluorophenyl)-2-fluorophenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid
CID 135365943
3-[[[5-(3-methoxyphenyl)thiophen-2-yl]-(1-methyl-2,4-dioxo-3-pyridinyl)carbamoyl]amino]propanoic acid
CID 175004843
3-[[(5-bromo-2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 122019134

Frequently Asked Questions

What is the IUPAC name of 3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid (CID 175005266) is 3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid is Cn1ccc(O)c(N(C(=O)NCCC(=O)O)c2ccc(-c3cc(F)ccc3F)s2)c1=O.
What is the InChIKey of 3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid?
The InChIKey is YYHUEJGHNDSTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F2N3O5S/c1-24-9-7-14(26)18(19(24)29)25(20(30)23-8-6-17(27)28)16-5-4-15(31-16)12-10-11(21)2-3-13(12)22/h2-5,7,9-10,26H,6,8H2,1H3,(H,23,30)(H,27,28).
What are the key properties of 3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid?
3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid has a molecular weight of 449.44 g/mol, XLogP of 3.42, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 175005266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).