methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate

C14H20N2O4 — CID 62007022

IUPACmethyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate
SMILESCCCN(CC(=O)OCC)c1ncccc1C(=O)OC
InChIInChI=1S/C14H20N2O4/c1-4-9-16(10-12(17)20-5-2)13-11(14(18)19-3)7-6-8-15-13/h6-8H,4-5,9-10H2,1-3H3
InChIKeyKJHXFJQVZCFVCH-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.65
Rot. Bonds7

About methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate

methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate (PubChem CID 62007022) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate
PubChem CID62007022
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate
SMILESCCCN(CC(=O)OCC)c1ncccc1C(=O)OC
InChIInChI=1S/C14H20N2O4/c1-4-9-16(10-12(17)20-5-2)13-11(14(18)19-3)7-6-8-15-13/h6-8H,4-5,9-10H2,1-3H3
InChIKeyKJHXFJQVZCFVCH-UHFFFAOYSA-N
XLogP1.65
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-3-carboxylate
CID 62005155
ethyl 2-[(2-methoxy-2-oxoethyl)-methylamino]pyridine-3-carboxylate
CID 55037918
methyl 4-[(2-ethoxy-2-oxoethyl)-propylamino]pyrimidine-2-carboxylate
CID 66285332
ethyl 2-[propyl(pyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 104733386
methyl 2-[(3-carbamothioylpyrazin-2-yl)-propylamino]acetate
CID 55102898
ethyl 2-[propyl(pyridin-4-yl)amino]acetate
CID 62006270
2-[(3-ethoxycarbonyl-2-pyridinyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79262210
ethyl 2-[propyl(thieno[3,2-d]pyrimidin-4-yl)amino]acetate
CID 62007024
ethyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103907749
2-[tert-butyl-(3-methoxycarbonyl-2-pyridinyl)amino]acetic acid
CID 79269179
ethyl 2-[(3-bromo-5-chloro-2-pyridinyl)-propylamino]acetate
CID 114838168
2-[[3-(piperidine-1-carbonyl)-2-pyridinyl]-propylamino]acetic acid
CID 122051429

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate?
The IUPAC name of methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate (CID 62007022) is methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate is CCCN(CC(=O)OCC)c1ncccc1C(=O)OC.
What is the InChIKey of methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate?
The InChIKey is KJHXFJQVZCFVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-4-9-16(10-12(17)20-5-2)13-11(14(18)19-3)7-6-8-15-13/h6-8H,4-5,9-10H2,1-3H3.
What are the key properties of methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate?
methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.65, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-ethoxy-2-oxoethyl)-propylamino]pyridine-3-carboxylate is sourced from PubChem (CID 62007022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).