methyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate

C11H14N2O3 — CID 130268104

IUPACmethyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)c(=O)n(CC2CC2)c1
InChIInChI=1S/C11H14N2O3/c1-16-11(15)8-4-9(12)10(14)13(6-8)5-7-2-3-7/h4,6-7H,2-3,5,12H2,1H3
InChIKeyJDBCBGGILUFKCL-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.63
Rot. Bonds3

About methyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate

methyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate (PubChem CID 130268104) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate
PubChem CID130268104
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)c(=O)n(CC2CC2)c1
InChIInChI=1S/C11H14N2O3/c1-16-11(15)8-4-9(12)10(14)13(6-8)5-7-2-3-7/h4,6-7H,2-3,5,12H2,1H3
InChIKeyJDBCBGGILUFKCL-UHFFFAOYSA-N
XLogP0.63
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate (CID 130268104) is methyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate is COC(=O)c1cc(N)c(=O)n(CC2CC2)c1.
What is the InChIKey of methyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate?
The InChIKey is JDBCBGGILUFKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-11(15)8-4-9(12)10(14)13(6-8)5-7-2-3-7/h4,6-7H,2-3,5,12H2,1H3.
What are the key properties of methyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate?
methyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-(cyclopropylmethyl)-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 130268104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).