methyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate

C19H22N2O4 — CID 113330852

IUPACmethyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate
SMILESCCOC(=O)CN(Cc1ccccc1)Cc1ccc(C(=O)OC)cn1
InChIInChI=1S/C19H22N2O4/c1-3-25-18(22)14-21(12-15-7-5-4-6-8-15)13-17-10-9-16(11-20-17)19(23)24-2/h4-11H,3,12-14H2,1-2H3
InChIKeyNQYBHZHZKUFGPT-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.43
Rot. Bonds8

About methyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate

methyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate (PubChem CID 113330852) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is methyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate
PubChem CID113330852
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Namemethyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate
SMILESCCOC(=O)CN(Cc1ccccc1)Cc1ccc(C(=O)OC)cn1
InChIInChI=1S/C19H22N2O4/c1-3-25-18(22)14-21(12-15-7-5-4-6-8-15)13-17-10-9-16(11-20-17)19(23)24-2/h4-11H,3,12-14H2,1-2H3
InChIKeyNQYBHZHZKUFGPT-UHFFFAOYSA-N
XLogP2.43
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[benzyl-(2-ethoxy-2-oxoethyl)amino]acetate
CID 5235503
ethyl 2-[benzyl-[2-(methylamino)-2-oxoethyl]amino]acetate
CID 78979113
methyl 4-[[[4-(aminomethyl)phenyl]methyl-benzylamino]methyl]benzoate
CID 142934382
ethyl 2-[benzyl(2-fluoroethyl)amino]acetate
CID 80602116
ethyl 2-[benzyl-[(5-phenyl-1,2-oxazol-3-yl)methyl]amino]acetate
CID 113330854
ethyl 2-[benzyl-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]amino]acetate
CID 78962416
ethyl 2-[benzyl-[2-[ethyl(methyl)amino]-2-oxoethyl]amino]acetate
CID 78978637
ethyl 2-[benzyl(furan-3-ylmethyl)amino]acetate
CID 5151384
[4-[[bis(2-ethoxy-2-oxoethyl)amino]methyl]phenyl]-diphenylsulfanium
CID 160930446
ethyl 2-[benzyl(3,3-dimethylbutyl)amino]acetate
CID 78957165
ethyl 2-[benzyl(cyanomethyl)amino]acetate
CID 78977806
ethyl 2-[benzyl-[(5-methylthiophen-2-yl)methyl]amino]acetate
CID 3821334

Frequently Asked Questions

What is the IUPAC name of methyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate (CID 113330852) is methyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate is CCOC(=O)CN(Cc1ccccc1)Cc1ccc(C(=O)OC)cn1.
What is the InChIKey of methyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate?
The InChIKey is NQYBHZHZKUFGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c1-3-25-18(22)14-21(12-15-7-5-4-6-8-15)13-17-10-9-16(11-20-17)19(23)24-2/h4-11H,3,12-14H2,1-2H3.
What are the key properties of methyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate?
methyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate has a molecular weight of 342.40 g/mol, XLogP of 2.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[benzyl-(2-ethoxy-2-oxoethyl)amino]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 113330852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).