3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid

C8H10N2O3 — CID 172592775

IUPAC3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c(N)c(=O)n1C
InChIInChI=1S/C8H10N2O3/c1-4-3-5(8(12)13)6(9)7(11)10(4)2/h3H,9H2,1-2H3,(H,12,13)
InChIKeyRWFXWLBYQNDMBD-UHFFFAOYSA-N
MW182.18 g/mol
LogP-0.03
Rot. Bonds1

About 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid

3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid (PubChem CID 172592775) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid
PubChem CID172592775
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid
SMILESCc1cc(C(=O)O)c(N)c(=O)n1C
InChIInChI=1S/C8H10N2O3/c1-4-3-5(8(12)13)6(9)7(11)10(4)2/h3H,9H2,1-2H3,(H,12,13)
InChIKeyRWFXWLBYQNDMBD-UHFFFAOYSA-N
XLogP-0.03
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid?
The IUPAC name of 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid (CID 172592775) is 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid.
What is the SMILES notation for 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid?
The canonical SMILES for 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid is Cc1cc(C(=O)O)c(N)c(=O)n1C.
What is the InChIKey of 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid?
The InChIKey is RWFXWLBYQNDMBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-3-5(8(12)13)6(9)7(11)10(4)2/h3H,9H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid?
3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid has a molecular weight of 182.18 g/mol, XLogP of -0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,6-dimethyl-2-oxopyridine-4-carboxylic acid is sourced from PubChem (CID 172592775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).