methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate

C13H19N3O3 — CID 114195170

IUPACmethyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate
SMILESCOCC1CCN(c2cnc(N)cc2C(=O)OC)C1
InChIInChI=1S/C13H19N3O3/c1-18-8-9-3-4-16(7-9)11-6-15-12(14)5-10(11)13(17)19-2/h5-6,9H,3-4,7-8H2,1-2H3,(H2,14,15)
InChIKeyWYVONZNYJPAUTG-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.92
Rot. Bonds4

About methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate

methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate (PubChem CID 114195170) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate
PubChem CID114195170
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate
SMILESCOCC1CCN(c2cnc(N)cc2C(=O)OC)C1
InChIInChI=1S/C13H19N3O3/c1-18-8-9-3-4-16(7-9)11-6-15-12(14)5-10(11)13(17)19-2/h5-6,9H,3-4,7-8H2,1-2H3,(H2,14,15)
InChIKeyWYVONZNYJPAUTG-UHFFFAOYSA-N
XLogP0.92
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate?
The IUPAC name of methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate (CID 114195170) is methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate.
What is the SMILES notation for methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate?
The canonical SMILES for methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate is COCC1CCN(c2cnc(N)cc2C(=O)OC)C1.
What is the InChIKey of methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate?
The InChIKey is WYVONZNYJPAUTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-18-8-9-3-4-16(7-9)11-6-15-12(14)5-10(11)13(17)19-2/h5-6,9H,3-4,7-8H2,1-2H3,(H2,14,15).
What are the key properties of methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate?
methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]pyridine-4-carboxylate is sourced from PubChem (CID 114195170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).