ethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate

C22H19FN2O5 — CID 142680277

IUPACethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(C(=O)c3ccc(OC)c(F)c3)ccc2O)nc1N
InChIInChI=1S/C22H19FN2O5/c1-3-30-22(28)14-6-7-17(25-21(14)24)15-10-12(4-8-18(15)26)20(27)13-5-9-19(29-2)16(23)11-13/h4-11,26H,3H2,1-2H3,(H2,24,25)
InChIKeyYNEKVHFGSBQEMQ-UHFFFAOYSA-N
MW410.40 g/mol
LogP3.59
Rot. Bonds6

About ethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate

ethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate (PubChem CID 142680277) has the molecular formula C22H19FN2O5 and a molecular weight of 410.40 g/mol. Its IUPAC name is ethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate
PubChem CID142680277
Molecular FormulaC22H19FN2O5
Molecular Weight410.40 g/mol
Exact Mass410.13
IUPAC Nameethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate
SMILESCCOC(=O)c1ccc(-c2cc(C(=O)c3ccc(OC)c(F)c3)ccc2O)nc1N
InChIInChI=1S/C22H19FN2O5/c1-3-30-22(28)14-6-7-17(25-21(14)24)15-10-12(4-8-18(15)26)20(27)13-5-9-19(29-2)16(23)11-13/h4-11,26H,3H2,1-2H3,(H2,24,25)
InChIKeyYNEKVHFGSBQEMQ-UHFFFAOYSA-N
XLogP3.59
TPSA111.74 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.40
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 2-amino-6-[5-(3-bromo-2-chloro-6-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate
CID 142680266
ethyl 2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylate
CID 142680262
(2,6-dimethyl-3-pyridinyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 115604695
(3-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 3021160
(3-fluoro-4-methoxyphenyl)-(2-methoxy-4-methylphenyl)methanone
CID 106790442
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 4-methoxynaphthalene-1-carboxylate
CID 8597334
2-amino-6-[5-(1,3-benzodioxole-5-carbonyl)-2-hydroxyphenyl]pyridine-3-carboxylic acid
CID 142680281
[2-(4-methoxyphenyl)-2-oxoethyl] 3-fluoro-4-methoxybenzoate
CID 7991637
ethyl 2-amino-3-fluoro-4-methoxybenzoate
CID 54595933
ethyl 4-amino-2-(2-methoxy-4-methylphenyl)pyrimidine-5-carboxylate
CID 106793658
(4-chlorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 2757552
ethyl 2,6-diaminopyridine-3-carboxylate
CID 58784252

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate (CID 142680277) is ethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate is CCOC(=O)c1ccc(-c2cc(C(=O)c3ccc(OC)c(F)c3)ccc2O)nc1N.
What is the InChIKey of ethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate?
The InChIKey is YNEKVHFGSBQEMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN2O5/c1-3-30-22(28)14-6-7-17(25-21(14)24)15-10-12(4-8-18(15)26)20(27)13-5-9-19(29-2)16(23)11-13/h4-11,26H,3H2,1-2H3,(H2,24,25).
What are the key properties of ethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate?
ethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate has a molecular weight of 410.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-6-[5-(3-fluoro-4-methoxybenzoyl)-2-hydroxyphenyl]pyridine-3-carboxylate is sourced from PubChem (CID 142680277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).