pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate

C17H24N2O7 — CID 67697237

IUPACpentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate
SMILESCCCCCOC(=O)c1cnc(OC(=O)NCC(=O)OCC)c(OC)c1
InChIInChI=1S/C17H24N2O7/c1-4-6-7-8-25-16(21)12-9-13(23-3)15(18-10-12)26-17(22)19-11-14(20)24-5-2/h9-10H,4-8,11H2,1-3H3,(H,19,22)
InChIKeyJRBLVANVEBBNNQ-UHFFFAOYSA-N
MW368.39 g/mol
LogP2.09
Rot. Bonds10

About pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate

pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate (PubChem CID 67697237) has the molecular formula C17H24N2O7 and a molecular weight of 368.39 g/mol. Its IUPAC name is pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Namepentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate
PubChem CID67697237
Molecular FormulaC17H24N2O7
Molecular Weight368.39 g/mol
Exact Mass368.16
IUPAC Namepentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate
SMILESCCCCCOC(=O)c1cnc(OC(=O)NCC(=O)OCC)c(OC)c1
InChIInChI=1S/C17H24N2O7/c1-4-6-7-8-25-16(21)12-9-13(23-3)15(18-10-12)26-17(22)19-11-14(20)24-5-2/h9-10H,4-8,11H2,1-3H3,(H,19,22)
InChIKeyJRBLVANVEBBNNQ-UHFFFAOYSA-N
XLogP2.09
TPSA113.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate
CID 67698257
octyl 2-[[5-(3-butoxypropylcarbamoyl)-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
CID 67697944
ethyl 2-[[5-[(4-butoxyphenyl)carbamoyl]-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
CID 22363167
ethyl 2-[[5-(hexadecylsulfonylcarbamoyl)-3-methoxy-2-pyridinyl]oxycarbonylamino]acetate
CID 70276197
heptyl 5-methoxy-6-[(2-octoxy-2-oxoethyl)carbamoyl]pyridine-3-carboxylate
CID 54061155
ethyl 6-[(2-butoxy-2-oxoethyl)carbamoyl]-5-propan-2-yloxypyridine-3-carboxylate
CID 54026144
octyl 3,4,5-trimethoxybenzoate
CID 54343365
octadecyl 3,4,5-trimethoxybenzoate
CID 19820326
ethyl 2-[[5-(decylsulfonylcarbamoyl)-3-methoxypyridine-2-carbonyl]amino]acetate
CID 54557989
hexyl 2-(ethoxycarbonylamino)acetate
CID 6421848
tridecyl 2-(ethoxycarbonylamino)acetate
CID 6421885
dioctyl pyridine-3,5-dicarboxylate
CID 102176297

Frequently Asked Questions

What is the IUPAC name of pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate?
The IUPAC name of pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate (CID 67697237) is pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate.
What is the SMILES notation for pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate?
The canonical SMILES for pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate is CCCCCOC(=O)c1cnc(OC(=O)NCC(=O)OCC)c(OC)c1.
What is the InChIKey of pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate?
The InChIKey is JRBLVANVEBBNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O7/c1-4-6-7-8-25-16(21)12-9-13(23-3)15(18-10-12)26-17(22)19-11-14(20)24-5-2/h9-10H,4-8,11H2,1-3H3,(H,19,22).
What are the key properties of pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate?
pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate has a molecular weight of 368.39 g/mol, XLogP of 2.09, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for pentyl 6-[(2-ethoxy-2-oxoethyl)carbamoyloxy]-5-methoxypyridine-3-carboxylate is sourced from PubChem (CID 67697237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).