methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate

C21H18N2O5 — CID 56543998

IUPACmethyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccnc(OCc3ccccc3)c2)c1O
InChIInChI=1S/C21H18N2O5/c1-27-21(26)16-8-5-9-17(19(16)24)23-20(25)15-10-11-22-18(12-15)28-13-14-6-3-2-4-7-14/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyRACFCWUGKAHKGM-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.41
Rot. Bonds6

About methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate

methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate (PubChem CID 56543998) has the molecular formula C21H18N2O5 and a molecular weight of 378.38 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate
PubChem CID56543998
Molecular FormulaC21H18N2O5
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Namemethyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate
SMILESCOC(=O)c1cccc(NC(=O)c2ccnc(OCc3ccccc3)c2)c1O
InChIInChI=1S/C21H18N2O5/c1-27-21(26)16-8-5-9-17(19(16)24)23-20(25)15-10-11-22-18(12-15)28-13-14-6-3-2-4-7-14/h2-12,24H,13H2,1H3,(H,23,25)
InChIKeyRACFCWUGKAHKGM-UHFFFAOYSA-N
XLogP3.41
TPSA97.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-hydroxy-3-[(4-phenylmethoxybenzoyl)amino]benzoate
CID 56576232
2-phenylmethoxy-N-(2-phenylphenyl)pyridine-4-carboxamide
CID 60566988
methyl 3-[[3-ethoxy-4-(pyridin-4-ylmethoxy)benzoyl]amino]-2-hydroxybenzoate
CID 56576167
N-methoxy-2-phenylmethoxypyridine-4-carboxamide
CID 47366546
methyl 2-[[2-[benzyl(methyl)amino]pyridine-4-carbonyl]amino]benzoate
CID 109170353
N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
N'-(3,4-dimethoxybenzoyl)-2-phenylmethoxypyridine-4-carbohydrazide
CID 55996835
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
N-[(3-methyloxetan-3-yl)methyl]-2-phenylmethoxypyridine-4-carboxamide
CID 99122923
methyl 2-[[2-(2-methoxyethylamino)pyridine-4-carbonyl]amino]benzoate
CID 109166947
methyl 2-[[2-(4-ethylanilino)pyridine-4-carbonyl]amino]benzoate
CID 109176912
methyl 3-[(3-cyanobenzoyl)amino]-2-hydroxybenzoate
CID 108745882

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate?
The IUPAC name of methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate (CID 56543998) is methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate?
The canonical SMILES for methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate is COC(=O)c1cccc(NC(=O)c2ccnc(OCc3ccccc3)c2)c1O.
What is the InChIKey of methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate?
The InChIKey is RACFCWUGKAHKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O5/c1-27-21(26)16-8-5-9-17(19(16)24)23-20(25)15-10-11-22-18(12-15)28-13-14-6-3-2-4-7-14/h2-12,24H,13H2,1H3,(H,23,25).
What are the key properties of methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate?
methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate has a molecular weight of 378.38 g/mol, XLogP of 3.41, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[(2-phenylmethoxypyridine-4-carbonyl)amino]benzoate is sourced from PubChem (CID 56543998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).