2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

C21H21N3O6 — CID 73050968

IUPAC2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESCc1ccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cc2)nc1
InChIInChI=1S/C21H21N3O6/c1-13-2-7-17(22-10-13)30-15-5-3-14(4-6-15)12-24-9-8-16(25)19(21(24)29)20(28)23-11-18(26)27/h2-7,10,25H,8-9,11-12H2,1H3,(H,23,28)(H,26,27)
InChIKeyFHMUUXWOUSOEJQ-UHFFFAOYSA-N
MW411.41 g/mol
LogP1.93
Rot. Bonds7

About 2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (PubChem CID 73050968) has the molecular formula C21H21N3O6 and a molecular weight of 411.41 g/mol. Its IUPAC name is 2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
PubChem CID73050968
Molecular FormulaC21H21N3O6
Molecular Weight411.41 g/mol
Exact Mass411.14
IUPAC Name2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESCc1ccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cc2)nc1
InChIInChI=1S/C21H21N3O6/c1-13-2-7-17(22-10-13)30-15-5-3-14(4-6-15)12-24-9-8-16(25)19(21(24)29)20(28)23-11-18(26)27/h2-7,10,25H,8-9,11-12H2,1H3,(H,23,28)(H,26,27)
InChIKeyFHMUUXWOUSOEJQ-UHFFFAOYSA-N
XLogP1.93
TPSA129.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.41
LogP ≤ 51.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze 2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (CID 73050968) is 2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is Cc1ccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cc2)nc1.
What is the InChIKey of 2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The InChIKey is FHMUUXWOUSOEJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O6/c1-13-2-7-17(22-10-13)30-15-5-3-14(4-6-15)12-24-9-8-16(25)19(21(24)29)20(28)23-11-18(26)27/h2-7,10,25H,8-9,11-12H2,1H3,(H,23,28)(H,26,27).
What are the key properties of 2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid has a molecular weight of 411.41 g/mol, XLogP of 1.93, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-hydroxy-1-[[4-[(5-methyl-2-pyridinyl)oxy]phenyl]methyl]-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 73050968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).