methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate

C12H17N3O3 — CID 142386891

IUPACmethyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(O)CC2)nc1N
InChIInChI=1S/C12H17N3O3/c1-18-12(17)9-2-3-10(14-11(9)13)15-6-4-8(16)5-7-15/h2-3,8,16H,4-7H2,1H3,(H2,13,14)
InChIKeyUMPBNORDTLPWKG-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.41
Rot. Bonds2

About methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate

methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate (PubChem CID 142386891) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate
PubChem CID142386891
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC(O)CC2)nc1N
InChIInChI=1S/C12H17N3O3/c1-18-12(17)9-2-3-10(14-11(9)13)15-6-4-8(16)5-7-15/h2-3,8,16H,4-7H2,1H3,(H2,13,14)
InChIKeyUMPBNORDTLPWKG-UHFFFAOYSA-N
XLogP0.41
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

dimethyl 6-(4-hydroxypiperidin-1-yl)pyridine-2,3-dicarboxylate;ethane
CID 142386912
methyl 6-[(3S)-3-hydroxypyrrolidin-1-yl]-2-methylpyridine-3-carboxylate
CID 113337632
methyl 2-bromo-4-(4-hydroxypiperidin-1-yl)benzoate
CID 66906453
methyl 6-[(3R)-3-aminopiperidin-1-yl]-2-methylpyridine-3-carboxylate
CID 102986351
methyl 2-bromo-3-fluoro-4-(4-hydroxypiperidin-1-yl)benzoate
CID 174254701
N-[[1-(5,6-diamino-2-pyridinyl)piperidin-4-yl]methyl]acetamide
CID 102735956
1-(5-amino-6-ethoxy-2-pyridinyl)piperidin-4-ol
CID 43260641
methyl 3-amino-5-(4-hydroxypiperidin-1-yl)-1,2-thiazole-4-carboxylate
CID 103381026
methyl 6-(2,3-dimethylpyrrolidin-1-yl)-2-methoxypyridine-3-carboxylate
CID 133492503
methyl 2-amino-6-(4,4-difluorocyclohexyl)pyridine-3-carboxylate
CID 176851869
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate (CID 142386891) is methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate is COC(=O)c1ccc(N2CCC(O)CC2)nc1N.
What is the InChIKey of methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate?
The InChIKey is UMPBNORDTLPWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-18-12(17)9-2-3-10(14-11(9)13)15-6-4-8(16)5-7-15/h2-3,8,16H,4-7H2,1H3,(H2,13,14).
What are the key properties of methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate?
methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-(4-hydroxypiperidin-1-yl)pyridine-3-carboxylate is sourced from PubChem (CID 142386891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).