methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate

C14H21N3O2 — CID 114047167

IUPACmethyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1N1CCC(C)(C)CC1
InChIInChI=1S/C14H21N3O2/c1-14(2)4-6-17(7-5-14)12-11(13(18)19-3)8-10(15)9-16-12/h8-9H,4-7,15H2,1-3H3
InChIKeyXQTQURNMGWXZOL-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.08
Rot. Bonds2

About methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate

methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate (PubChem CID 114047167) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate
PubChem CID114047167
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC Namemethyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)cnc1N1CCC(C)(C)CC1
InChIInChI=1S/C14H21N3O2/c1-14(2)4-6-17(7-5-14)12-11(13(18)19-3)8-10(15)9-16-12/h8-9H,4-7,15H2,1-3H3
InChIKeyXQTQURNMGWXZOL-UHFFFAOYSA-N
XLogP2.08
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 ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-amino-2-(3-carbamoylpyrrolidin-1-yl)pyridine-3-carboxylate
CID 114082431
methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)benzoate
CID 62932235
5-amino-2-(8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 63160780
methyl 2,5-diaminopyridine-3-carboxylate
CID 83792494
5-amino-2-(4-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 53213920
5-amino-2-pyrrolidin-1-ylpyridine-3-carboxylic acid
CID 53213917
methyl 3-(6-azaspiro[2.5]octan-6-yl)-6-chloropyridazine-4-carboxylate
CID 169123892
methyl 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carboxylate
CID 114047041
5-amino-2-morpholin-4-ylpyridine-3-carboxylic acid
CID 53213919
5-amino-2-(4-ethoxypiperidin-1-yl)pyridine-3-carboxamide
CID 61360162
5-amino-2-(4-ethoxycarbonylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 98032415
ethane;methyl 2-[4-(cyclohexylamino)piperidin-1-yl]-5-methylpyridine-3-carboxylate
CID 144575641

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate (CID 114047167) is methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate is COC(=O)c1cc(N)cnc1N1CCC(C)(C)CC1.
What is the InChIKey of methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate?
The InChIKey is XQTQURNMGWXZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2)4-6-17(7-5-14)12-11(13(18)19-3)8-10(15)9-16-12/h8-9H,4-7,15H2,1-3H3.
What are the key properties of methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate?
methyl 5-amino-2-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate has a molecular weight of 263.34 g/mol, XLogP of 2.08, 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-(4,4-dimethylpiperidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 114047167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).