methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate

C14H23N3O3 — CID 114405986

IUPACmethyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate
SMILESCOCCN(CC(C)C)c1nc(C(=O)OC)ccc1N
InChIInChI=1S/C14H23N3O3/c1-10(2)9-17(7-8-19-3)13-11(15)5-6-12(16-13)14(18)20-4/h5-6,10H,7-9,15H2,1-4H3
InChIKeyUKFIGBWTELOYBN-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.56
Rot. Bonds7

About methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate

methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate (PubChem CID 114405986) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate
PubChem CID114405986
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate
SMILESCOCCN(CC(C)C)c1nc(C(=O)OC)ccc1N
InChIInChI=1S/C14H23N3O3/c1-10(2)9-17(7-8-19-3)13-11(15)5-6-12(16-13)14(18)20-4/h5-6,10H,7-9,15H2,1-4H3
InChIKeyUKFIGBWTELOYBN-UHFFFAOYSA-N
XLogP1.56
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate (CID 114405986) is methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate is COCCN(CC(C)C)c1nc(C(=O)OC)ccc1N.
What is the InChIKey of methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate?
The InChIKey is UKFIGBWTELOYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(2)9-17(7-8-19-3)13-11(15)5-6-12(16-13)14(18)20-4/h5-6,10H,7-9,15H2,1-4H3.
What are the key properties of methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate?
methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 1.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[2-methoxyethyl(2-methylpropyl)amino]pyridine-2-carboxylate is sourced from PubChem (CID 114405986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).