2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

C19H17ClN4O6 — CID 73052072

IUPAC2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2cnc(Oc3ccc(Cl)cc3)cn2)C1=O
InChIInChI=1S/C19H17ClN4O6/c20-11-1-3-13(4-2-11)30-15-8-21-12(7-22-15)10-24-6-5-14(25)17(19(24)29)18(28)23-9-16(26)27/h1-4,7-8,25H,5-6,9-10H2,(H,23,28)(H,26,27)
InChIKeyPHSJETVGEDMVSU-UHFFFAOYSA-N
MW432.82 g/mol
LogP1.67
Rot. Bonds7

About 2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid

2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (PubChem CID 73052072) has the molecular formula C19H17ClN4O6 and a molecular weight of 432.82 g/mol. Its IUPAC name is 2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
PubChem CID73052072
Molecular FormulaC19H17ClN4O6
Molecular Weight432.82 g/mol
Exact Mass432.08
IUPAC Name2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2cnc(Oc3ccc(Cl)cc3)cn2)C1=O
InChIInChI=1S/C19H17ClN4O6/c20-11-1-3-13(4-2-11)30-15-8-21-12(7-22-15)10-24-6-5-14(25)17(19(24)29)18(28)23-9-16(26)27/h1-4,7-8,25H,5-6,9-10H2,(H,23,28)(H,26,27)
InChIKeyPHSJETVGEDMVSU-UHFFFAOYSA-N
XLogP1.67
TPSA141.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.82
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-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-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (CID 73052072) is 2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1=C(O)CCN(Cc2cnc(Oc3ccc(Cl)cc3)cn2)C1=O.
What is the InChIKey of 2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The InChIKey is PHSJETVGEDMVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O6/c20-11-1-3-13(4-2-11)30-15-8-21-12(7-22-15)10-24-6-5-14(25)17(19(24)29)18(28)23-9-16(26)27/h1-4,7-8,25H,5-6,9-10H2,(H,23,28)(H,26,27).
What are the key properties of 2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid has a molecular weight of 432.82 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[5-(4-chlorophenoxy)pyrazin-2-yl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 73052072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).