3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid

C23H22FN3O5 — CID 175002379

IUPAC3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid
SMILESCc1cn(C)c(=O)c(N(C(=O)NCCC(=O)O)c2cccc(-c3ccc(F)cc3)c2)c1O
InChIInChI=1S/C23H22FN3O5/c1-14-13-26(2)22(31)20(21(14)30)27(23(32)25-11-10-19(28)29)18-5-3-4-16(12-18)15-6-8-17(24)9-7-15/h3-9,12-13,30H,10-11H2,1-2H3,(H,25,32)(H,28,29)
InChIKeyCROGDOQHYOVYFR-UHFFFAOYSA-N
MW439.44 g/mol
LogP3.53
Rot. Bonds6

About 3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid

3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid (PubChem CID 175002379) has the molecular formula C23H22FN3O5 and a molecular weight of 439.44 g/mol. Its IUPAC name is 3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid
PubChem CID175002379
Molecular FormulaC23H22FN3O5
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC Name3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid
SMILESCc1cn(C)c(=O)c(N(C(=O)NCCC(=O)O)c2cccc(-c3ccc(F)cc3)c2)c1O
InChIInChI=1S/C23H22FN3O5/c1-14-13-26(2)22(31)20(21(14)30)27(23(32)25-11-10-19(28)29)18-5-3-4-16(12-18)15-6-8-17(24)9-7-15/h3-9,12-13,30H,10-11H2,1-2H3,(H,25,32)(H,28,29)
InChIKeyCROGDOQHYOVYFR-UHFFFAOYSA-N
XLogP3.53
TPSA111.87 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 53.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-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-[[[3-(4-chlorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid
CID 175005351
3-[[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)-[4-methoxy-3-(3-methoxyphenyl)phenyl]carbamoyl]amino]propanoic acid
CID 175002287
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-[[(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-[[[5-(2,5-difluorophenyl)thiophen-2-yl]-(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid
CID 175005266
tert-butyl 3-[[[4-(2,4-difluorophenyl)phenyl]-(4-hydroxy-1,6-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoate
CID 175005295
3-[3-(4-fluoro-3-methylphenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid
CID 135366264
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-[3-(2,5-difluorophenyl)phenyl]-3-[(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid
CID 135366498
3-[[[3-(2,4-difluorophenyl)phenyl]-[(3S)-1-ethyl-2,4-dioxo-3-pyridinyl]carbamoyl]amino]propanoic acid
CID 175004688
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

Frequently Asked Questions

What is the IUPAC name of 3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid (CID 175002379) is 3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid is Cc1cn(C)c(=O)c(N(C(=O)NCCC(=O)O)c2cccc(-c3ccc(F)cc3)c2)c1O.
What is the InChIKey of 3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid?
The InChIKey is CROGDOQHYOVYFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O5/c1-14-13-26(2)22(31)20(21(14)30)27(23(32)25-11-10-19(28)29)18-5-3-4-16(12-18)15-6-8-17(24)9-7-15/h3-9,12-13,30H,10-11H2,1-2H3,(H,25,32)(H,28,29).
What are the key properties of 3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid?
3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid has a molecular weight of 439.44 g/mol, XLogP of 3.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[3-(4-fluorophenyl)phenyl]-(4-hydroxy-1,5-dimethyl-2-oxo-3-pyridinyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 175002379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).