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

C22H23N3O6 — CID 73051749

IUPAC2-[[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESCCc1ccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cn2)cc1
InChIInChI=1S/C22H23N3O6/c1-2-14-3-6-16(7-4-14)31-18-8-5-15(11-23-18)13-25-10-9-17(26)20(22(25)30)21(29)24-12-19(27)28/h3-8,11,26H,2,9-10,12-13H2,1H3,(H,24,29)(H,27,28)
InChIKeyKKRLNLJDTLOVCD-UHFFFAOYSA-N
MW425.44 g/mol
LogP2.18
Rot. Bonds8

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

2-[[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (PubChem CID 73051749) has the molecular formula C22H23N3O6 and a molecular weight of 425.44 g/mol. Its IUPAC name is 2-[[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
PubChem CID73051749
Molecular FormulaC22H23N3O6
Molecular Weight425.44 g/mol
Exact Mass425.16
IUPAC Name2-[[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid
SMILESCCc1ccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cn2)cc1
InChIInChI=1S/C22H23N3O6/c1-2-14-3-6-16(7-4-14)31-18-8-5-15(11-23-18)13-25-10-9-17(26)20(22(25)30)21(29)24-12-19(27)28/h3-8,11,26H,2,9-10,12-13H2,1H3,(H,24,29)(H,27,28)
InChIKeyKKRLNLJDTLOVCD-UHFFFAOYSA-N
XLogP2.18
TPSA129.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.44
LogP ≤ 52.18
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-(4-ethylphenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The IUPAC name of 2-[[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid (CID 73051749) is 2-[[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The canonical SMILES for 2-[[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is CCc1ccc(Oc2ccc(CN3CCC(O)=C(C(=O)NCC(=O)O)C3=O)cn2)cc1.
What is the InChIKey of 2-[[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
The InChIKey is KKRLNLJDTLOVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O6/c1-2-14-3-6-16(7-4-14)31-18-8-5-15(11-23-18)13-25-10-9-17(26)20(22(25)30)21(29)24-12-19(27)28/h3-8,11,26H,2,9-10,12-13H2,1H3,(H,24,29)(H,27,28).
What are the key properties of 2-[[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid?
2-[[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid has a molecular weight of 425.44 g/mol, XLogP of 2.18, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[[6-(4-ethylphenoxy)-3-pyridinyl]methyl]-4-hydroxy-6-oxo-2,3-dihydropyridine-5-carbonyl]amino]acetic acid is sourced from PubChem (CID 73051749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).