ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate

C17H18N2O4 — CID 20871823

IUPACethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate
SMILESCCOC(=O)CN(C(=O)c1cccnc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O4/c1-3-23-16(20)12-19(14-6-8-15(22-2)9-7-14)17(21)13-5-4-10-18-11-13/h4-11H,3,12H2,1-2H3
InChIKeyVKZLDEBRRSHVRP-UHFFFAOYSA-N
MW314.34 g/mol
LogP2.30
Rot. Bonds6

About ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate

ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate (PubChem CID 20871823) has the molecular formula C17H18N2O4 and a molecular weight of 314.34 g/mol. Its IUPAC name is ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate.

Molecular Properties

Compound Nameethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate
PubChem CID20871823
Molecular FormulaC17H18N2O4
Molecular Weight314.34 g/mol
Exact Mass314.13
IUPAC Nameethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate
SMILESCCOC(=O)CN(C(=O)c1cccnc1)c1ccc(OC)cc1
InChIInChI=1S/C17H18N2O4/c1-3-23-16(20)12-19(14-6-8-15(22-2)9-7-14)17(21)13-5-4-10-18-11-13/h4-11H,3,12H2,1-2H3
InChIKeyVKZLDEBRRSHVRP-UHFFFAOYSA-N
XLogP2.30
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 28767903
ethyl 3-(N-(2-ethoxy-2-oxoethyl)-4-methoxyanilino)-3-oxopropanoate
CID 46398234
N-(2-aminoethyl)-N-(4-methylphenyl)pyridine-3-carboxamide
CID 28768964
N-[(4-methoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 86975589
N-(4-methoxyphenyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]pyridine-3-carboxamide
CID 1390846
N-[2-(4-methoxyphenyl)ethyl]-N-methylpyridine-3-carboxamide
CID 84510950
ethyl pyridine-3-carboxylate;dihydrochloride
CID 141150900
N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 1391706
N-(4-fluorophenyl)-3-methoxy-N-(pyridin-3-ylmethyl)benzamide
CID 110360811
N-(4-fluorophenyl)-2-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)acetamide
CID 110360820
N-(4-methoxyphenyl)-3-methyl-N-(pyridin-3-ylmethyl)butanamide
CID 110360592
ethyl 2-[[3-[2-(4-carbamimidoylphenyl)acetyl]-1-methylindol-6-yl]-(pyridine-3-carbonyl)amino]acetate;hydrochloride
CID 70066051

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate?
The IUPAC name of ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate (CID 20871823) is ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate.
What is the SMILES notation for ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate?
The canonical SMILES for ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate is CCOC(=O)CN(C(=O)c1cccnc1)c1ccc(OC)cc1.
What is the InChIKey of ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate?
The InChIKey is VKZLDEBRRSHVRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4/c1-3-23-16(20)12-19(14-6-8-15(22-2)9-7-14)17(21)13-5-4-10-18-11-13/h4-11H,3,12H2,1-2H3.
What are the key properties of ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate?
ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate has a molecular weight of 314.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-methoxy-N-(pyridine-3-carbonyl)anilino]acetate is sourced from PubChem (CID 20871823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).