ethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate

C18H26N2O6 — CID 143515855

IUPACethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(OCCCCNC(=O)OC(C)(C)C)cc(C=O)n1
InChIInChI=1S/C18H26N2O6/c1-5-24-16(22)15-11-14(10-13(12-21)20-15)25-9-7-6-8-19-17(23)26-18(2,3)4/h10-12H,5-9H2,1-4H3,(H,19,23)
InChIKeyNLQGKRVIKCUNBU-UHFFFAOYSA-N
MW366.41 g/mol
LogP2.75
Rot. Bonds9

About ethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate

ethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate (PubChem CID 143515855) has the molecular formula C18H26N2O6 and a molecular weight of 366.41 g/mol. Its IUPAC name is ethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate
PubChem CID143515855
Molecular FormulaC18H26N2O6
Molecular Weight366.41 g/mol
Exact Mass366.18
IUPAC Nameethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate
SMILESCCOC(=O)c1cc(OCCCCNC(=O)OC(C)(C)C)cc(C=O)n1
InChIInChI=1S/C18H26N2O6/c1-5-24-16(22)15-11-14(10-13(12-21)20-15)25-9-7-6-8-19-17(23)26-18(2,3)4/h10-12H,5-9H2,1-4H3,(H,19,23)
InChIKeyNLQGKRVIKCUNBU-UHFFFAOYSA-N
XLogP2.75
TPSA103.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.41
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

diethyl 4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]pyridine-2,6-dicarboxylate
CID 67145385
tert-butyl N-[2-[[2,6-bis(hydroxymethyl)-4-pyridinyl]oxy]ethyl]carbamate;diethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethoxy]pyridine-2,6-dicarboxylate
CID 157310540
ethyl 5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-1,2-oxazole-3-carboxylate
CID 10588096
diethyl 1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-3,5-dicarboxylate
CID 67968131
diethyl 4-ethoxypyridine-2,6-dicarboxylate
CID 46708188
ethyl 4-[[4-ethoxy-6-[[4-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]methylamino]-1,3,5-triazin-2-yl]methyl]benzoate
CID 58223007
ethyl 5-acetyl-1-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]pyrazole-3-carboxylate
CID 171616214
methyl 6-[3-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]phenyl]pyridine-2-carboxylate
CID 66815923
methyl 3,5-bis[3-[[3,5-bis[3-[(2-methylpropan-2-yl)oxycarbonylamino]propoxy]benzoyl]amino]propoxy]benzoate;molecular hydrogen
CID 142065035
methyl 2-methyl-5-[6-[(2-methylpropan-2-yl)oxycarbonylamino]hexoxy]-3-(2-trimethylsilylethynyl)benzoate
CID 168869190
tert-butyl N-[3-[4-(3-formyl-2-methylphenyl)-3,5-dimethylphenoxy]propyl]carbamate
CID 58082958
tert-butyl N-[5-[(6-bromo-3-pyridinyl)oxy]pentyl]carbamate
CID 165369012

Frequently Asked Questions

What is the IUPAC name of ethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate?
The IUPAC name of ethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate (CID 143515855) is ethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate.
What is the SMILES notation for ethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate?
The canonical SMILES for ethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate is CCOC(=O)c1cc(OCCCCNC(=O)OC(C)(C)C)cc(C=O)n1.
What is the InChIKey of ethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate?
The InChIKey is NLQGKRVIKCUNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O6/c1-5-24-16(22)15-11-14(10-13(12-21)20-15)25-9-7-6-8-19-17(23)26-18(2,3)4/h10-12H,5-9H2,1-4H3,(H,19,23).
What are the key properties of ethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate?
ethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate has a molecular weight of 366.41 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-formyl-4-[4-[(2-methylpropan-2-yl)oxycarbonylamino]butoxy]pyridine-2-carboxylate is sourced from PubChem (CID 143515855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).