methyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate

C14H21N3O2 — CID 83220558

IUPACmethyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate
SMILESCCC1CCC(C)N1c1nccc(C(=O)OC)c1N
InChIInChI=1S/C14H21N3O2/c1-4-10-6-5-9(2)17(10)13-12(15)11(7-8-16-13)14(18)19-3/h7-10H,4-6,15H2,1-3H3
InChIKeyJOPBPHMFXZKLLS-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.22
Rot. Bonds3

About methyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate

methyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate (PubChem CID 83220558) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate
PubChem CID83220558
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate
SMILESCCC1CCC(C)N1c1nccc(C(=O)OC)c1N
InChIInChI=1S/C14H21N3O2/c1-4-10-6-5-9(2)17(10)13-12(15)11(7-8-16-13)14(18)19-3/h7-10H,4-6,15H2,1-3H3
InChIKeyJOPBPHMFXZKLLS-UHFFFAOYSA-N
XLogP2.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate (CID 83220558) is methyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate is CCC1CCC(C)N1c1nccc(C(=O)OC)c1N.
What is the InChIKey of methyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate?
The InChIKey is JOPBPHMFXZKLLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-4-10-6-5-9(2)17(10)13-12(15)11(7-8-16-13)14(18)19-3/h7-10H,4-6,15H2,1-3H3.
What are the key properties of methyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate?
methyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-(2-ethyl-5-methylpyrrolidin-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 83220558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).