3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid

C23H23N3O7 — CID 135366811

IUPAC3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid
SMILESCOc1ccccc1Oc1cccc(C(CC(=O)O)NC(=O)Nc2c(O)ccn(C)c2=O)c1
InChIInChI=1S/C23H23N3O7/c1-26-11-10-17(27)21(22(26)30)25-23(31)24-16(13-20(28)29)14-6-5-7-15(12-14)33-19-9-4-3-8-18(19)32-2/h3-12,16,27H,13H2,1-2H3,(H,28,29)(H2,24,25,31)
InChIKeyFVSBNCOMCWIKHP-UHFFFAOYSA-N
MW453.45 g/mol
LogP3.23
Rot. Bonds8

About 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid

3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid (PubChem CID 135366811) has the molecular formula C23H23N3O7 and a molecular weight of 453.45 g/mol. Its IUPAC name is 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid.

Molecular Properties

Compound Name3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid
PubChem CID135366811
Molecular FormulaC23H23N3O7
Molecular Weight453.45 g/mol
Exact Mass453.15
IUPAC Name3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid
SMILESCOc1ccccc1Oc1cccc(C(CC(=O)O)NC(=O)Nc2c(O)ccn(C)c2=O)c1
InChIInChI=1S/C23H23N3O7/c1-26-11-10-17(27)21(22(26)30)25-23(31)24-16(13-20(28)29)14-6-5-7-15(12-14)33-19-9-4-3-8-18(19)32-2/h3-12,16,27H,13H2,1-2H3,(H,28,29)(H2,24,25,31)
InChIKeyFVSBNCOMCWIKHP-UHFFFAOYSA-N
XLogP3.23
TPSA139.12 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.45
LogP ≤ 53.23
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid with MolForge

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Related Compounds

ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoate
CID 138506575
(3S)-3-[3-(2-chlorophenoxy)phenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid;(3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid;(3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methylphenoxy)phenyl]propanoic acid;(3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(3-methylphenoxy)phenyl]propanoic acid;(3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(4-methylphenoxy)phenyl]propanoic acid
CID 159862423
(3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-methoxy-3-(3-methoxyphenyl)phenyl]propanoic acid
CID 135366538
3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(6-methoxy-2-pyridinyl)phenyl]propanoic acid
CID 135366610
3-[3-fluoro-5-(3-methoxyphenyl)phenyl]-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]propanoic acid
CID 135366581
ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(4-methylphenoxy)phenyl]propanoate
CID 138506613
ethyl (3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-phenylphenyl)propanoate
CID 140935676
3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-[(4-methylphenyl)methyl]phenyl]propanoic acid
CID 135367434
ethyl 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[4-(3-methoxyphenoxy)phenyl]propanoate
CID 142472208
(3S)-3-[[1-[(2-chlorophenyl)methyl]-4-hydroxy-2-oxo-3-pyridinyl]carbamoylamino]-3-(3-methoxyphenyl)propanoic acid
CID 57318985
3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-indazol-1-ylphenyl)propanoic acid
CID 135366110
(3S)-3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-(3-indazol-1-ylphenyl)propanoic acid
CID 135366108

Frequently Asked Questions

What is the IUPAC name of 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid?
The IUPAC name of 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid (CID 135366811) is 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid.
What is the SMILES notation for 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid?
The canonical SMILES for 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid is COc1ccccc1Oc1cccc(C(CC(=O)O)NC(=O)Nc2c(O)ccn(C)c2=O)c1.
What is the InChIKey of 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid?
The InChIKey is FVSBNCOMCWIKHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O7/c1-26-11-10-17(27)21(22(26)30)25-23(31)24-16(13-20(28)29)14-6-5-7-15(12-14)33-19-9-4-3-8-18(19)32-2/h3-12,16,27H,13H2,1-2H3,(H,28,29)(H2,24,25,31).
What are the key properties of 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid?
3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid has a molecular weight of 453.45 g/mol, XLogP of 3.23, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-hydroxy-1-methyl-2-oxo-3-pyridinyl)carbamoylamino]-3-[3-(2-methoxyphenoxy)phenyl]propanoic acid is sourced from PubChem (CID 135366811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).