5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid

C10H12N2O3 — CID 84722624

IUPAC5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)c(C2CC2)cc(N)c1=O
InChIInChI=1S/C10H12N2O3/c1-12-8(10(14)15)6(5-2-3-5)4-7(11)9(12)13/h4-5H,2-3,11H2,1H3,(H,14,15)
InChIKeyWCIACEZOUCLKLY-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.54
Rot. Bonds2

About 5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid

5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid (PubChem CID 84722624) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid
PubChem CID84722624
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid
SMILESCn1c(C(=O)O)c(C2CC2)cc(N)c1=O
InChIInChI=1S/C10H12N2O3/c1-12-8(10(14)15)6(5-2-3-5)4-7(11)9(12)13/h4-5H,2-3,11H2,1H3,(H,14,15)
InChIKeyWCIACEZOUCLKLY-UHFFFAOYSA-N
XLogP0.54
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The IUPAC name of 5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid (CID 84722624) is 5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid.
What is the SMILES notation for 5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The canonical SMILES for 5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid is Cn1c(C(=O)O)c(C2CC2)cc(N)c1=O.
What is the InChIKey of 5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid?
The InChIKey is WCIACEZOUCLKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-12-8(10(14)15)6(5-2-3-5)4-7(11)9(12)13/h4-5H,2-3,11H2,1H3,(H,14,15).
What are the key properties of 5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid?
5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-cyclopropyl-1-methyl-6-oxopyridine-2-carboxylic acid is sourced from PubChem (CID 84722624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).