ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate

C18H29N3O3 — CID 47082826

IUPACethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC(C)(C)N1CC(C)OC(C)C1
InChIInChI=1S/C18H29N3O3/c1-6-23-17(22)15-8-7-9-19-16(15)20-12-18(4,5)21-10-13(2)24-14(3)11-21/h7-9,13-14H,6,10-12H2,1-5H3,(H,19,20)
InChIKeyRWTMVPKYJRDCSG-UHFFFAOYSA-N
MW335.45 g/mol
LogP2.56
Rot. Bonds6

About ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate

ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate (PubChem CID 47082826) has the molecular formula C18H29N3O3 and a molecular weight of 335.45 g/mol. Its IUPAC name is ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate
PubChem CID47082826
Molecular FormulaC18H29N3O3
Molecular Weight335.45 g/mol
Exact Mass335.22
IUPAC Nameethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate
SMILESCCOC(=O)c1cccnc1NCC(C)(C)N1CC(C)OC(C)C1
InChIInChI=1S/C18H29N3O3/c1-6-23-17(22)15-8-7-9-19-16(15)20-12-18(4,5)21-10-13(2)24-14(3)11-21/h7-9,13-14H,6,10-12H2,1-5H3,(H,19,20)
InChIKeyRWTMVPKYJRDCSG-UHFFFAOYSA-N
XLogP2.56
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate?
The IUPAC name of ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate (CID 47082826) is ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate.
What is the SMILES notation for ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate?
The canonical SMILES for ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate is CCOC(=O)c1cccnc1NCC(C)(C)N1CC(C)OC(C)C1.
What is the InChIKey of ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate?
The InChIKey is RWTMVPKYJRDCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O3/c1-6-23-17(22)15-8-7-9-19-16(15)20-12-18(4,5)21-10-13(2)24-14(3)11-21/h7-9,13-14H,6,10-12H2,1-5H3,(H,19,20).
What are the key properties of ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate?
ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate has a molecular weight of 335.45 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,6-dimethylmorpholin-4-yl)-2-methylpropyl]amino]pyridine-3-carboxylate is sourced from PubChem (CID 47082826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).