methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate

C13H18N4O3 — CID 114404917

IUPACmethyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C13H18N4O3/c1-20-13(19)10-5-4-9(14)12(16-10)17-6-2-3-8(7-17)11(15)18/h4-5,8H,2-3,6-7,14H2,1H3,(H2,15,18)
InChIKeyVGAYAIZROVYXJH-UHFFFAOYSA-N
MW278.31 g/mol
LogP0.15
Rot. Bonds3

About methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate

methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate (PubChem CID 114404917) has the molecular formula C13H18N4O3 and a molecular weight of 278.31 g/mol. Its IUPAC name is methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate
PubChem CID114404917
Molecular FormulaC13H18N4O3
Molecular Weight278.31 g/mol
Exact Mass278.14
IUPAC Namemethyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate
SMILESCOC(=O)c1ccc(N)c(N2CCCC(C(N)=O)C2)n1
InChIInChI=1S/C13H18N4O3/c1-20-13(19)10-5-4-9(14)12(16-10)17-6-2-3-8(7-17)11(15)18/h4-5,8H,2-3,6-7,14H2,1H3,(H2,15,18)
InChIKeyVGAYAIZROVYXJH-UHFFFAOYSA-N
XLogP0.15
TPSA111.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.31
LogP ≤ 50.15
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-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate (CID 114404917) is methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate is COC(=O)c1ccc(N)c(N2CCCC(C(N)=O)C2)n1.
What is the InChIKey of methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate?
The InChIKey is VGAYAIZROVYXJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O3/c1-20-13(19)10-5-4-9(14)12(16-10)17-6-2-3-8(7-17)11(15)18/h4-5,8H,2-3,6-7,14H2,1H3,(H2,15,18).
What are the key properties of methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate?
methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate has a molecular weight of 278.31 g/mol, XLogP of 0.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-6-(3-carbamoylpiperidin-1-yl)pyridine-2-carboxylate is sourced from PubChem (CID 114404917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).