2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate

C14H21N3O2 — CID 104934308

IUPAC2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate
SMILESCN1CCCCC1CCOC(=O)c1ccc(N)cn1
InChIInChI=1S/C14H21N3O2/c1-17-8-3-2-4-12(17)7-9-19-14(18)13-6-5-11(15)10-16-13/h5-6,10,12H,2-4,7-9,15H2,1H3
InChIKeyVQAZHRQOWRLAKY-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.70
Rot. Bonds4

About 2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate

2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate (PubChem CID 104934308) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate
PubChem CID104934308
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Name2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate
SMILESCN1CCCCC1CCOC(=O)c1ccc(N)cn1
InChIInChI=1S/C14H21N3O2/c1-17-8-3-2-4-12(17)7-9-19-14(18)13-6-5-11(15)10-16-13/h5-6,10,12H,2-4,7-9,15H2,1H3
InChIKeyVQAZHRQOWRLAKY-UHFFFAOYSA-N
XLogP1.70
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-methylpiperidin-2-yl)ethyl 2-(4-aminophenoxy)acetate
CID 107913305
2-(1-methylpiperidin-2-yl)ethyl 4-amino-3-methoxybenzoate
CID 107913430
2-(1-methylpiperidin-2-yl)ethyl 3-amino-5-chlorobenzoate
CID 107913411
2-(1-methylpiperidin-2-yl)ethyl 2-amino-4-chlorobenzoate
CID 107913336
2-(1-methylpiperidin-2-yl)ethyl 5-amino-2,4-dimethylbenzoate
CID 107913432
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenoxy)acetate
CID 107913344
2-(1-methylpiperidin-2-yl)ethyl 2-(3-aminophenyl)acetate
CID 107913384
[2-(azepan-1-yl)-2-oxoethyl] 5-aminopyridine-2-carboxylate
CID 81316115
butyl 5-aminopyridine-2-carboxylate
CID 81315833
2-(1-methylpyrrolidin-2-yl)ethyl furan-2-carboxylate
CID 23738695
4-bromo-3-[2-(1-methylpiperidin-2-yl)ethoxy]aniline
CID 107911011
(5-amino-2-pyridinyl)-[2-(hydroxymethyl)azepan-1-yl]methanone
CID 116633795

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate?
The IUPAC name of 2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate (CID 104934308) is 2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate is CN1CCCCC1CCOC(=O)c1ccc(N)cn1.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate?
The InChIKey is VQAZHRQOWRLAKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-17-8-3-2-4-12(17)7-9-19-14(18)13-6-5-11(15)10-16-13/h5-6,10,12H,2-4,7-9,15H2,1H3.
What are the key properties of 2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate?
2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 1.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)ethyl 5-aminopyridine-2-carboxylate is sourced from PubChem (CID 104934308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).