ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate

C15H20N4O2 — CID 69361208

IUPACethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc(N2CCC(N)CC2)c1C#N
InChIInChI=1S/C15H20N4O2/c1-3-21-15(20)12-8-10(2)18-14(13(12)9-16)19-6-4-11(17)5-7-19/h8,11H,3-7,17H2,1-2H3
InChIKeyMBEIXGGSKFNKLN-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.37
Rot. Bonds3

About ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate

ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate (PubChem CID 69361208) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate
PubChem CID69361208
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Nameethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate
SMILESCCOC(=O)c1cc(C)nc(N2CCC(N)CC2)c1C#N
InChIInChI=1S/C15H20N4O2/c1-3-21-15(20)12-8-10(2)18-14(13(12)9-16)19-6-4-11(17)5-7-19/h8,11H,3-7,17H2,1-2H3
InChIKeyMBEIXGGSKFNKLN-UHFFFAOYSA-N
XLogP1.37
TPSA92.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate with MolForge

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Related Compounds

ethyl 3-cyano-6-methyl-2-methylsulfanylpyridine-4-carboxylate
CID 2726217
1-(3-cyano-5-ethoxycarbonyl-6-methyl-2-pyridinyl)piperidine-4-carboxylic acid
CID 68918085
ethyl 6-(3-aminoazetidin-1-yl)-5-cyano-2-methylpyridine-3-carboxylate
CID 68913702
2-hydroxyethyl 2-amino-3-cyano-6-methylpyridine-4-carboxylate
CID 659803
ethyl 6-(4-aminopiperidin-1-yl)-5-chloropyridine-3-carboxylate;dihydrochloride
CID 68842869
ethyl 5-(3-aminopyrrolidin-1-yl)-4-cyanothiophene-2-carboxylate;hydrochloride
CID 67060540
1-(3-cyano-4,6-dimethyl-2-pyridinyl)-N-propan-2-ylpiperidine-4-carboxamide
CID 171992682
1-[3-cyano-5-ethoxycarbonyl-6-(trifluoromethylsulfonyloxy)-2-pyridinyl]piperidine-4-carboxylic acid
CID 86621587
2-[2-[1-(3-cyano-4,6-dimethyl-2-pyridinyl)piperidin-4-yl]imidazol-1-yl]acetamide
CID 72868172
methyl 4-(4-aminopiperidin-1-yl)-2-methylpyrimidine-5-carboxylate
CID 114214138
ethyl 5-(4-aminopiperidin-1-yl)pyridine-3-carboxylate
CID 68603079
2-(azetidin-1-yl)-4,6-dimethylpyridine-3-carbonitrile
CID 130547075

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate?
The IUPAC name of ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate (CID 69361208) is ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate.
What is the SMILES notation for ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate?
The canonical SMILES for ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate is CCOC(=O)c1cc(C)nc(N2CCC(N)CC2)c1C#N.
What is the InChIKey of ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate?
The InChIKey is MBEIXGGSKFNKLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-21-15(20)12-8-10(2)18-14(13(12)9-16)19-6-4-11(17)5-7-19/h8,11H,3-7,17H2,1-2H3.
What are the key properties of ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate?
ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 1.37, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-aminopiperidin-1-yl)-3-cyano-6-methylpyridine-4-carboxylate is sourced from PubChem (CID 69361208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).