[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

C19H20N2O6 — CID 2359496

IUPAC[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H20N2O6/c1-3-26-17-15(5-4-10-20-17)19(24)27-12-16(22)21-11-13-6-8-14(9-7-13)18(23)25-2/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeySNXLMFRSJJSOLA-UHFFFAOYSA-N
MW372.38 g/mol
LogP1.74
Rot. Bonds8

About [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate

[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (PubChem CID 2359496) has the molecular formula C19H20N2O6 and a molecular weight of 372.38 g/mol. Its IUPAC name is [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
PubChem CID2359496
Molecular FormulaC19H20N2O6
Molecular Weight372.38 g/mol
Exact Mass372.13
IUPAC Name[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
SMILESCCOc1ncccc1C(=O)OCC(=O)NCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C19H20N2O6/c1-3-26-17-15(5-4-10-20-17)19(24)27-12-16(22)21-11-13-6-8-14(9-7-13)18(23)25-2/h4-10H,3,11-12H2,1-2H3,(H,21,22)
InChIKeySNXLMFRSJJSOLA-UHFFFAOYSA-N
XLogP1.74
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-ethoxy-N-[(2-fluorophenyl)methyl]pyridine-3-carboxamide
CID 2080643
[2-(Benzylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2346507
[2-(3,4-Dimethylphenyl)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2347085
[2-(1,3-Benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2433163
[2-Oxo-2-(propan-2-ylcarbamoylamino)ethyl] 2-ethoxypyridine-3-carboxylate
CID 2467378
[2-(2,3-dihydro-1H-inden-5-ylamino)-2-oxoethyl] 2-ethoxypyridine-3-carboxylate
CID 2645846
2-({[2-(4-Methylphenoxy)pyridin-3-yl]carbonyl}amino)acetic acid
CID 2801072
N-[3-(2-p-Tolyloxy-acetylamino)-propyl]-nicotinamide
CID 2988570
N-{2-[2-(4-Methoxy-phenoxy)-acetylamino]-ethyl}-nicotinamide
CID 2991541
[1-(4-Ethylanilino)-1-oxopropan-2-yl] 2-ethoxypyridine-3-carboxylate
CID 4215262
2-ethoxy-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 4794993
[2-[(6-Methoxypyridin-3-yl)amino]-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate
CID 4963948

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The IUPAC name of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate (CID 2359496) is [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate.
What is the SMILES notation for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The canonical SMILES for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is CCOc1ncccc1C(=O)OCC(=O)NCc1ccc(C(=O)OC)cc1.
What is the InChIKey of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
The InChIKey is SNXLMFRSJJSOLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O6/c1-3-26-17-15(5-4-10-20-17)19(24)27-12-16(22)21-11-13-6-8-14(9-7-13)18(23)25-2/h4-10H,3,11-12H2,1-2H3,(H,21,22).
What are the key properties of [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate?
[2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate has a molecular weight of 372.38 g/mol, XLogP of 1.74, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methoxycarbonylphenyl)methylamino]-2-oxoethyl] 2-ethoxypyridine-3-carboxylate is sourced from PubChem (CID 2359496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).