methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate

C14H21N3O3 — CID 114406710

IUPACmethyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
SMILESCOCC1CCN(c2nc(C(=O)OC)ccc2N)CC1
InChIInChI=1S/C14H21N3O3/c1-19-9-10-5-7-17(8-6-10)13-11(15)3-4-12(16-13)14(18)20-2/h3-4,10H,5-9,15H2,1-2H3
InChIKeyNRSSAWSNIHDKQR-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.31
Rot. Bonds4

About methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate

methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate (PubChem CID 114406710) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
PubChem CID114406710
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Namemethyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate
SMILESCOCC1CCN(c2nc(C(=O)OC)ccc2N)CC1
InChIInChI=1S/C14H21N3O3/c1-19-9-10-5-7-17(8-6-10)13-11(15)3-4-12(16-13)14(18)20-2/h3-4,10H,5-9,15H2,1-2H3
InChIKeyNRSSAWSNIHDKQR-UHFFFAOYSA-N
XLogP1.31
TPSA77.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 114406024
methyl 5-amino-6-(4-ethylazepan-1-yl)pyridine-2-carboxylate
CID 114406752
methyl 5-amino-6-(4-propylazepan-1-yl)pyridine-2-carboxylate
CID 114406755
methyl 5-amino-6-[4-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylate
CID 114405514
methyl 5-amino-6-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-2-carboxylate
CID 114406547
methyl 5-amino-6-(4-methylsulfonylpiperazin-1-yl)pyridine-2-carboxylate
CID 114406519
methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate
CID 114404917
methyl 5-amino-6-[3-(trifluoromethyl)piperidin-1-yl]pyridine-2-carboxylate
CID 114406868
6-[4-(methoxymethyl)piperidin-1-yl]-5-nitropyridine-2-carboxylic acid
CID 114404163
methyl 2-amino-5-[3-(methoxymethyl)pyrrolidin-1-yl]benzoate
CID 64598858
methyl 5-[3-(methoxymethyl)pyrrolidin-1-yl]pyrazine-2-carboxylate
CID 114059817
methyl 5-amino-6-iodopyridine-2-carboxylate
CID 53485922

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate (CID 114406710) is methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate is COCC1CCN(c2nc(C(=O)OC)ccc2N)CC1.
What is the InChIKey of methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate?
The InChIKey is NRSSAWSNIHDKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-19-9-10-5-7-17(8-6-10)13-11(15)3-4-12(16-13)14(18)20-2/h3-4,10H,5-9,15H2,1-2H3.
What are the key properties of methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate?
methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate has a molecular weight of 279.34 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[4-(methoxymethyl)piperidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 114406710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).