methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate

C13H19N3O2 — CID 102986351

IUPACmethyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC[C@@H](N)C2)nc1C
InChIInChI=1S/C13H19N3O2/c1-9-11(13(17)18-2)5-6-12(15-9)16-7-3-4-10(14)8-16/h5-6,10H,3-4,7-8,14H2,1-2H3/t10-/m1/s1
InChIKeySMQXVNDFWWYLMB-SNVBAGLBSA-N
MW249.31 g/mol
LogP1.10
Rot. Bonds2

About methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate

methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate (PubChem CID 102986351) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate
PubChem CID102986351
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Namemethyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC[C@@H](N)C2)nc1C
InChIInChI=1S/C13H19N3O2/c1-9-11(13(17)18-2)5-6-12(15-9)16-7-3-4-10(14)8-16/h5-6,10H,3-4,7-8,14H2,1-2H3/t10-/m1/s1
InChIKeySMQXVNDFWWYLMB-SNVBAGLBSA-N
XLogP1.10
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 6-(3-ethoxycarbonylpiperidin-1-yl)-2-methylpyridine-3-carboxylate
CID 133391396
methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 113337632
methyl 2-methyl-6-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pyridine-3-carboxylate
CID 133420753
methyl 6-[3-(1H-imidazol-2-yl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133448398
methyl 6-(2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-6-yl)-2-methylpyridine-3-carboxylate
CID 133421229
methyl 6-(1-benzyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-methylpyridine-3-carboxylate
CID 133420760
methyl 2-methyl-6-(3-prop-2-enoxypyrrolidin-1-yl)pyridine-3-carboxylate
CID 133465271
methyl 6-[(2R)-2-[(1S,2S)-2-hydroxycyclohexyl]pyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 100685192
methyl 2-methyl-6-(3-methyl-4-morpholin-4-ylpyrrolidin-1-yl)pyridine-3-carboxylate
CID 133419030
methyl 2-methyl-6-(4-pyridin-4-ylpiperazin-1-yl)pyridine-3-carboxylate
CID 133432159
methyl 6-[4-(benzylcarbamoyl)piperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 133432193
methyl 1-(6-methyl-5-nitro-2-pyridinyl)piperidine-3-carboxylate
CID 80711750

Frequently Asked Questions

What is the IUPAC name of methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate?
The IUPAC name of methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate (CID 102986351) is methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate?
The canonical SMILES for methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate is COC(=O)c1ccc(N2CCC[C@@H](N)C2)nc1C.
What is the InChIKey of methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate?
The InChIKey is SMQXVNDFWWYLMB-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-9-11(13(17)18-2)5-6-12(15-9)16-7-3-4-10(14)8-16/h5-6,10H,3-4,7-8,14H2,1-2H3/t10-/m1/s1.
What are the key properties of methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate?
methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate has a molecular weight of 249.31 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate is sourced from PubChem (CID 102986351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).