methyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate

C8H10N2O3 — CID 105439859

IUPACmethyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)c(=O)n(C)c1
InChIInChI=1S/C8H10N2O3/c1-10-4-5(8(12)13-2)3-6(9)7(10)11/h3-4H,9H2,1-2H3
InChIKeyBEBREEGAWSNDHY-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.25
Rot. Bonds1

About methyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate

methyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate (PubChem CID 105439859) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is methyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate
PubChem CID105439859
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Namemethyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate
SMILESCOC(=O)c1cc(N)c(=O)n(C)c1
InChIInChI=1S/C8H10N2O3/c1-10-4-5(8(12)13-2)3-6(9)7(10)11/h3-4H,9H2,1-2H3
InChIKeyBEBREEGAWSNDHY-UHFFFAOYSA-N
XLogP-0.25
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.25
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-methyl-6-oxopyridine-3-carboxylate?
The IUPAC name of methyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate (CID 105439859) is methyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate.
What is the SMILES notation for methyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate?
The canonical SMILES for methyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate is COC(=O)c1cc(N)c(=O)n(C)c1.
What is the InChIKey of methyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate?
The InChIKey is BEBREEGAWSNDHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-10-4-5(8(12)13-2)3-6(9)7(10)11/h3-4H,9H2,1-2H3.
What are the key properties of methyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate?
methyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate has a molecular weight of 182.18 g/mol, XLogP of -0.25, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-amino-1-methyl-6-oxopyridine-3-carboxylate is sourced from PubChem (CID 105439859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).