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

C20H18ClN3O6 — CID 73053166

IUPAC2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(Oc3cccc(Cl)c3)nc2)C1=O
InChIInChI=1S/C20H18ClN3O6/c21-13-2-1-3-14(8-13)30-16-5-4-12(9-22-16)11-24-7-6-15(25)18(20(24)29)19(28)23-10-17(26)27/h1-5,8-9,25H,6-7,10-11H2,(H,23,28)(H,26,27)
InChIKeyGYUFTGZUELPHSK-UHFFFAOYSA-N
MW431.83 g/mol
LogP2.27
Rot. Bonds7

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

2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (PubChem CID 73053166) has the molecular formula C20H18ClN3O6 and a molecular weight of 431.83 g/mol. Its IUPAC name is 2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
PubChem CID73053166
Molecular FormulaC20H18ClN3O6
Molecular Weight431.83 g/mol
Exact Mass431.09
IUPAC Name2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESO=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(Oc3cccc(Cl)c3)nc2)C1=O
InChIInChI=1S/C20H18ClN3O6/c21-13-2-1-3-14(8-13)30-16-5-4-12(9-22-16)11-24-7-6-15(25)18(20(24)29)19(28)23-10-17(26)27/h1-5,8-9,25H,6-7,10-11H2,(H,23,28)(H,26,27)
InChIKeyGYUFTGZUELPHSK-UHFFFAOYSA-N
XLogP2.27
TPSA129.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.83
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (CID 73053166) is 2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is O=C(O)CNC(=O)C1=C(O)CCN(Cc2ccc(Oc3cccc(Cl)c3)nc2)C1=O.
What is the InChIKey of 2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The InChIKey is GYUFTGZUELPHSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O6/c21-13-2-1-3-14(8-13)30-16-5-4-12(9-22-16)11-24-7-6-15(25)18(20(24)29)19(28)23-10-17(26)27/h1-5,8-9,25H,6-7,10-11H2,(H,23,28)(H,26,27).
What are the key properties of 2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid has a molecular weight of 431.83 g/mol, XLogP of 2.27, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[6-(3-chlorophenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 73053166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).