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

C14H20N4O3 — CID 114406024

IUPACmethyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N2CCC(CC(N)=O)CC2)n1
InChIInChI=1S/C14H20N4O3/c1-21-14(20)11-3-2-10(15)13(17-11)18-6-4-9(5-7-18)8-12(16)19/h2-3,9H,4-8,15H2,1H3,(H2,16,19)
InChIKeyMVHVCLCZZNMAMS-UHFFFAOYSA-N
MW292.34 g/mol
LogP0.54
Rot. Bonds4

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

methyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate (PubChem CID 114406024) has the molecular formula C14H20N4O3 and a molecular weight of 292.34 g/mol. Its IUPAC name is methyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate
PubChem CID114406024
Molecular FormulaC14H20N4O3
Molecular Weight292.34 g/mol
Exact Mass292.15
IUPAC Namemethyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N2CCC(CC(N)=O)CC2)n1
InChIInChI=1S/C14H20N4O3/c1-21-14(20)11-3-2-10(15)13(17-11)18-6-4-9(5-7-18)8-12(16)19/h2-3,9H,4-8,15H2,1H3,(H2,16,19)
InChIKeyMVHVCLCZZNMAMS-UHFFFAOYSA-N
XLogP0.54
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate (CID 114406024) is methyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate is COC(=O)c1ccc(N)c(N2CCC(CC(N)=O)CC2)n1.
What is the InChIKey of methyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate?
The InChIKey is MVHVCLCZZNMAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O3/c1-21-14(20)11-3-2-10(15)13(17-11)18-6-4-9(5-7-18)8-12(16)19/h2-3,9H,4-8,15H2,1H3,(H2,16,19).
What are the key properties of methyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate?
methyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate has a molecular weight of 292.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-[4-(2-amino-2-oxoethyl)piperidin-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 114406024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).