methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate

C14H21N3O3 — CID 106905132

IUPACmethyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCOC(C(C)N)C2)n1
InChIInChI=1S/C14H21N3O3/c1-10(15)13-9-17(6-7-20-13)8-11-4-3-5-12(16-11)14(18)19-2/h3-5,10,13H,6-9,15H2,1-2H3
InChIKeyNKXZSMDCDSQUDD-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.42
Rot. Bonds4

About methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate

methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate (PubChem CID 106905132) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate
PubChem CID106905132
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate
SMILESCOC(=O)c1cccc(CN2CCOC(C(C)N)C2)n1
InChIInChI=1S/C14H21N3O3/c1-10(15)13-9-17(6-7-20-13)8-11-4-3-5-12(16-11)14(18)19-2/h3-5,10,13H,6-9,15H2,1-2H3
InChIKeyNKXZSMDCDSQUDD-UHFFFAOYSA-N
XLogP0.42
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate?
The IUPAC name of methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate (CID 106905132) is methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate is COC(=O)c1cccc(CN2CCOC(C(C)N)C2)n1.
What is the InChIKey of methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate?
The InChIKey is NKXZSMDCDSQUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-10(15)13-9-17(6-7-20-13)8-11-4-3-5-12(16-11)14(18)19-2/h3-5,10,13H,6-9,15H2,1-2H3.
What are the key properties of methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate?
methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[2-(1-aminoethyl)morpholin-4-yl]methyl]pyridine-2-carboxylate is sourced from PubChem (CID 106905132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).