tert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate

C18H28N2O3 — CID 166683570

IUPACtert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate
SMILESCCCC1COCC(C)N1c1cc(C(=O)OC(C)(C)C)ccn1
InChIInChI=1S/C18H28N2O3/c1-6-7-15-12-22-11-13(2)20(15)16-10-14(8-9-19-16)17(21)23-18(3,4)5/h8-10,13,15H,6-7,11-12H2,1-5H3
InChIKeyVAGLBKVXZIRIAQ-UHFFFAOYSA-N
MW320.43 g/mol
LogP3.43
Rot. Bonds4

About tert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate

tert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate (PubChem CID 166683570) has the molecular formula C18H28N2O3 and a molecular weight of 320.43 g/mol. Its IUPAC name is tert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate
PubChem CID166683570
Molecular FormulaC18H28N2O3
Molecular Weight320.43 g/mol
Exact Mass320.21
IUPAC Nametert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate
SMILESCCCC1COCC(C)N1c1cc(C(=O)OC(C)(C)C)ccn1
InChIInChI=1S/C18H28N2O3/c1-6-7-15-12-22-11-13(2)20(15)16-10-14(8-9-19-16)17(21)23-18(3,4)5/h8-10,13,15H,6-7,11-12H2,1-5H3
InChIKeyVAGLBKVXZIRIAQ-UHFFFAOYSA-N
XLogP3.43
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.43
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate?
The IUPAC name of tert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate (CID 166683570) is tert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate?
The canonical SMILES for tert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate is CCCC1COCC(C)N1c1cc(C(=O)OC(C)(C)C)ccn1.
What is the InChIKey of tert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate?
The InChIKey is VAGLBKVXZIRIAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O3/c1-6-7-15-12-22-11-13(2)20(15)16-10-14(8-9-19-16)17(21)23-18(3,4)5/h8-10,13,15H,6-7,11-12H2,1-5H3.
What are the key properties of tert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate?
tert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate has a molecular weight of 320.43 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(3-methyl-5-propylmorpholin-4-yl)pyridine-4-carboxylate is sourced from PubChem (CID 166683570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).