methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate

C14H21N3O2 — CID 114090049

IUPACmethyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCCCCCC2)ncc1N
InChIInChI=1S/C14H21N3O2/c1-19-14(18)11-9-13(16-10-12(11)15)17-7-5-3-2-4-6-8-17/h9-10H,2-8,15H2,1H3
InChIKeyOQZKUBCKMUIRQA-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.22
Rot. Bonds2

About methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate

methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate (PubChem CID 114090049) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate
PubChem CID114090049
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCCCCCC2)ncc1N
InChIInChI=1S/C14H21N3O2/c1-19-14(18)11-9-13(16-10-12(11)15)17-7-5-3-2-4-6-8-17/h9-10H,2-8,15H2,1H3
InChIKeyOQZKUBCKMUIRQA-UHFFFAOYSA-N
XLogP2.22
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
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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Related Compounds

methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate
CID 114090414
methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate
CID 114090703
methyl 5-amino-2-(3-propan-2-ylpyrrolidin-1-yl)pyridine-4-carboxylate
CID 114090571
methyl 4-amino-2-piperidin-1-ylpyrimidine-5-carboxylate;hydrochloride
CID 3078702
methyl 5-amino-2-(3,4,5-trimethylpyrazol-1-yl)pyridine-4-carboxylate
CID 114090515
methyl 5-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine-4-carboxylate
CID 175640260
methyl 2-fluoro-5-pyrrolidin-1-ylpyridine-3-carboxylate
CID 171084326
dimethyl 4,5-diaminobenzene-1,2-dicarboxylate
CID 14574480
5-amino-2-(4-propylpiperazin-1-yl)pyridine-4-carboxamide
CID 114090039
methyl 2-amino-5-(4-pyridin-2-ylpiperazin-1-yl)benzoate
CID 146347076
methyl 1-(azepan-1-yl)isoquinoline-4-carboxylate
CID 15998604
methyl 2-amino-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxylate
CID 175275086

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate (CID 114090049) is methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate is COC(=O)c1cc(N2CCCCCCC2)ncc1N.
What is the InChIKey of methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate?
The InChIKey is OQZKUBCKMUIRQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-19-14(18)11-9-13(16-10-12(11)15)17-7-5-3-2-4-6-8-17/h9-10H,2-8,15H2,1H3.
What are the key properties of methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate?
methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(azocan-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 114090049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).