methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate

C13H19N3O3 — CID 114090703

IUPACmethyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCC(C)C(O)C2)ncc1N
InChIInChI=1S/C13H19N3O3/c1-8-3-4-16(7-11(8)17)12-5-9(13(18)19-2)10(14)6-15-12/h5-6,8,11,17H,3-4,7,14H2,1-2H3
InChIKeyXMMVNZUJSSJNBF-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.66
Rot. Bonds2

About methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate

methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate (PubChem CID 114090703) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate
PubChem CID114090703
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate
SMILESCOC(=O)c1cc(N2CCC(C)C(O)C2)ncc1N
InChIInChI=1S/C13H19N3O3/c1-8-3-4-16(7-11(8)17)12-5-9(13(18)19-2)10(14)6-15-12/h5-6,8,11,17H,3-4,7,14H2,1-2H3
InChIKeyXMMVNZUJSSJNBF-UHFFFAOYSA-N
XLogP0.66
TPSA88.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Ethyl 5-amino-6-cyclohexylaminonicotinate
CID 22598045
2-(cyclopropanecarbonylamino)-N-[4-(1-hydroxyethyl)-3-pyridinyl]pyridine-4-carboxamide
CID 118065368
Methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 60156209
methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate
CID 73296028
Methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-methylpyridine-3-carboxylate
CID 118263680
Methyl 2,3-diaminopyridine-4-carboxylate
CID 65699781
Ethyl 2-morpholinoisonicotinate
CID 2762944
Methyl 2-[3-hydroxy-4-[(2-methylcyclohexyl)amino]piperidin-1-yl]pyridine-3-carboxylate
CID 118263628
Methyl 2-[4-(cycloheptylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 118263631
Methyl 2-[3-hydroxy-4-(oxan-4-ylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 118263632
Methyl 2-[4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]-5-nitropyridine-3-carboxylate
CID 118263668
methyl 2-[(3R,4R)-4-(cyclohexylamino)-3-hydroxypiperidin-1-yl]pyridine-3-carboxylate
CID 118263708

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate?
The IUPAC name of methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate (CID 114090703) is methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate.
What is the SMILES notation for methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate?
The canonical SMILES for methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate is COC(=O)c1cc(N2CCC(C)C(O)C2)ncc1N.
What is the InChIKey of methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate?
The InChIKey is XMMVNZUJSSJNBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8-3-4-16(7-11(8)17)12-5-9(13(18)19-2)10(14)6-15-12/h5-6,8,11,17H,3-4,7,14H2,1-2H3.
What are the key properties of methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate?
methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.66, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-2-(3-hydroxy-4-methylpiperidin-1-yl)pyridine-4-carboxylate is sourced from PubChem (CID 114090703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).